1124-63-6

3-環(huán)已基-1-丙醇(1124-63-6)質(zhì)譜(MS)

產(chǎn)品名稱:3-環(huán)已基-1-丙醇

CAS:1124-63-6

分子式:C9H18O

分子量: 142.24

InChI:InChI=1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2

InChIKey: CLYAQFSQLQTVNO-UHFFFAOYSA-N

Smiles:C1(CCCO)CCCCC1

Mass

MS-NW-9680          
3-cyclohexyl-1-propanol
C9H18O              (Mass of molecular ion:    142)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       6.7
      28.0       2.2
      29.0       9.4
      31.0       6.2
      39.0      10.5
      40.0       1.9
      41.0      43.3
      42.0      16.8
      43.0       7.8
      44.0       1.6
      45.0       1.0
      51.0       1.1
      53.0       6.5
      54.0      20.4
      55.0      95.8
      56.0       7.5
      57.0       4.6
      60.0       1.3
      65.0       1.8
      66.0       5.2
      67.0      69.3
      68.0      21.9
      69.0      10.9
      70.0       1.4
      71.0       1.5
      77.0       1.9
      79.0       6.3
      80.0       3.2
      81.0      92.6
      82.0      98.4
      83.0      55.1
      84.0       3.5
      93.0       1.2
      94.0       1.3
      95.0      18.2
      96.0     100.0
      97.0       8.4
     109.0       3.5
     123.0       1.0
     124.0       9.2
     125.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
3-cyclohexyl-1-propanol

    Assign.     Shift(ppm)

      A             3.568
      B             3.08
      C          1.75 to 1.60
      D             1.552
      E             1.21
      F             1.20
      G             1.15
      J             0.878

     Hz     ppm     Int.

   1433.11   3.586    319
   1426.39   3.570    625
   1419.68   3.553    358
   1232.67   3.085    440
    689.21   1.725    408
    684.94   1.714    393
    678.10   1.697    731
    675.54   1.691    588
    671.75   1.681    435
    668.46   1.673    452
    666.26   1.668    416
    658.81   1.649    169
    657.10   1.645    144
    656.37   1.643    142
    654.42   1.638    155
    653.20   1.635    170
    651.37   1.630    192
    650.02   1.627    179
    648.32   1.623    143
    646.97   1.619    136
    635.25   1.590    169
    628.30   1.573    392
    625.61   1.566    226
    624.27   1.563    211
    621.46   1.556    429
    619.63   1.551    455
    612.79   1.534    510
    606.08   1.517    212
    509.40   1.275     68
    505.25   1.265    106
    501.95   1.256     81
    501.34   1.255     80
    496.22   1.242    296
    492.55   1.233    528
    489.75   1.226    735
    483.64   1.211   1000
    481.32   1.205    760
    480.35   1.202    756
    477.54   1.195    903
    475.10   1.189    457
    470.09   1.177    509
    468.51   1.173    626
    462.28   1.157    194
    459.72   1.151    273
    457.03   1.144    189
    453.00   1.134     46
    450.20   1.127     85
    447.39   1.120    176
    444.46   1.113    104
    438.23   1.097     36
    435.06   1.089     65
    431.88   1.081     40
    368.90   0.924    113
    366.09   0.917    155
    354.25   0.887    294
    344.12   0.862    271
    337.40   0.845     95
    335.21   0.839    100
    330.57   0.828     71

in CDCl3