111-43-3

正丙醚(111-43-3)質(zhì)譜(MS)

產(chǎn)品名稱:正丙醚

CAS:111-43-3

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3

InChIKey: POLCUAVZOMRGSN-UHFFFAOYSA-N

Smiles:O(CCC)CCC

Mass

MS-NW-0006          
dipropyl ether
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 200 °C
   Sample Temperature:  25 °C
   Reservoir, 75 eV

      15.0       2.3
      18.0       2.8
      19.0       1.6
      26.0       2.3
      27.0      17.5
      28.0       4.2
      29.0       9.2
      30.0       1.0
      31.0      68.1
      32.0       1.4
      33.0       1.1
      39.0       6.8
      40.0       1.3
      41.0      24.3
      42.0      11.5
      43.0     100.0
      44.0       4.2
      45.0      48.3
      46.0       1.1
      55.0       5.8
      56.0       1.3
      57.0       5.1
      59.0      21.4
      60.0       6.1
      73.0      21.4
      74.0       1.3
      87.0       3.2
     102.0       8.9

90 MHz in CDCl3

parameter in benzene

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
dipropyl ether

    Assign.     Shift(ppm)

      A             3.365
      B             1.59
      C             0.93

     Hz     ppm     Int.

    308.31   3.443    425
    301.69   3.369    889
    295.00   3.294    508
    153.13   1.710    157
    148.31   1.656     72
    146.81   1.640    209
    146.13   1.632    232
    140.25   1.566    163
    139.13   1.554    316
    132.31   1.478    206
     90.06   1.006    269
     89.31   0.998    512
     88.69   0.991    349
     82.44   0.921   1000
     81.69   0.913    563
     75.44   0.843    169
     74.69   0.834    308
     73.63   0.823    180

¹H NMR	300 MHz
C₆ H₁₄ O	90 vol% in benzene
dipropyl ether

    Parameter     ppm  Hz

      D(A)         3.194
      D(B)         1.449
      D(C)         0.812
       J(A,B)          6.45
       J(A,C)          0.0
       J(B,C)          7.43
     
     SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)

     Hz     ppm     Int.

    964.69   3.216    372
    958.24   3.194    759
    951.81   3.173    390
    452.46   1.508     37
    444.98   1.483    131
    438.49   1.462    255
    431.10   1.437    264
    424.58   1.415    139
    417.30   1.391     44
    250.88   0.836    517
    243.46   0.812   1000
    236.05   0.787    432

in CDCl3