66750-10-5

苯雜氮-15-冠-5(66750-10-5)紅外圖譜(IR1)

產(chǎn)品名稱:苯雜氮-15-冠-5

CAS:66750-10-5

分子式:C16H25NO4

分子量: 295.37

InChI:InChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2

InChIKey: SGDQOAKAHLFKBV-UHFFFAOYSA-N

Smiles:O1CCN(C2=CC=CC=C2)CCOCCOCCOCC1

Mass

MS-IW-5012          
13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
C16H25NO4           (Mass of molecular ion:    295)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.2
      27.0       1.7
      28.0       2.8
      29.0       1.8
      31.0       2.5
      41.0       1.5
      42.0       2.1
      43.0       5.8
      44.0       2.7
      45.0      10.3
      51.0       2.4
      56.0       1.5
      59.0       1.5
      65.0       1.4
      71.0       1.2
      73.0       1.1
      77.0      15.3
      78.0       2.1
      79.0       1.5
      86.0       1.4
      87.0       2.3
      88.0       1.0
      88.5       1.8
      89.0       1.3
      91.0      19.5
      92.0       2.2
      93.0       8.0
      95.5       1.6
     100.0       1.3
     103.0       1.1
     104.0      14.7
     105.0      27.1
     106.0      41.7
     107.0       3.8
     110.5       1.4
     117.0       2.7
     118.0       5.8
     119.0      31.7
     120.0      21.5
     121.0       3.2
     130.0       2.3
     131.0       2.4
     132.0      16.9
     133.0       7.1
     134.0       5.8
     135.0       1.5
     137.0      12.8
     138.0       1.4
     144.0       4.5
     145.0       1.3
     146.0      15.7
     147.0       7.2
     148.0      11.8
     149.0      17.0
     150.0      25.1
     151.0       5.1
     158.0       1.1
     162.0      26.5
     163.0      12.8
     164.0      11.9
     165.0       1.7
     176.0      17.7
     177.0       9.2
     178.0       4.5
     179.0       3.8
     181.0       1.0
     188.0       2.1
     190.0       4.5
     192.0       3.4
     194.0       1.5
     206.0       2.0
     207.0       4.2
     208.0       8.1
     209.0       2.6
     220.0       5.8
     221.0       1.3
     234.0       3.3
     236.0       3.1
     237.0       1.9
     238.0       3.9
     239.0       5.7
     250.0       1.9
     252.0       1.1
     264.0      10.0
     265.0       4.6
     267.0       8.1
     268.0       1.3
     294.0       2.1
     295.0     100.0
     296.0      19.0
     297.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₂₅ N O₄	0.038 g : 0.5 ml CDCl₃
13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

    Assign.     Shift(ppm)

      A             7.202
      B             6.66
      C             6.65
      D             3.750
      E             3.667
      F             3.646
      G             3.633
      J             3.593

     Hz     ppm     Int.

   2886.84   7.224     74
   2879.39   7.205     87
   2878.66   7.203     78
   2877.81   7.201     78
   2870.61   7.183     88
   2665.77   6.671     64
   2664.67   6.668    107
   2661.87   6.661     41
   2660.28   6.657     41
   2659.18   6.654     94
   2658.08   6.652     67
   2655.88   6.646     83
   2655.03   6.644     93
   2652.83   6.638     40
   2651.86   6.636     39
   1505.74   3.768    106
   1499.51   3.753    288
   1493.41   3.737    159
   1472.17   3.684     59
   1470.70   3.680     76
   1468.99   3.676    119
   1466.92   3.671    108
   1465.33   3.667    150
   1463.87   3.663    257
   1463.26   3.662    262
   1458.74   3.651    244
   1458.13   3.649    272
   1456.79   3.646    168
   1455.08   3.641    133
   1452.03   3.634   1000
   1441.41   3.607    161
   1435.30   3.592    262
   1428.96   3.576    105

in CDCl3