順-3-壬烯-1-醇(10340-23-5)質(zhì)譜(MS)

產(chǎn)品名稱:順-3-壬烯-1-醇

CAS:10340-23-5

分子式:C9H18O

分子量: 142.24

InChI:InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-

InChIKey: IFTBJDZSLBRRMC-SREVYHEPSA-N

Smiles:C(O)C/C=C\CCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6646          
cis-3-nonen-1-ol
C9H18O              (Mass of molecular ion:    142)

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

      18.0       3.4
      27.0      20.0
      28.0       5.7
      29.0      33.1
      30.0       1.0
      31.0      17.8
      39.0      26.0
      40.0       4.3
      41.0      85.8
      42.0      23.4
      43.0      28.0
      44.0       8.2
      45.0       2.7
      50.0       1.0
      51.0       2.9
      52.0       1.7
      53.0      16.9
      54.0      52.1
      55.0     100.0
      56.0      28.4
      57.0      32.8
      58.0       2.9
      65.0       4.4
      66.0       8.0
      67.0      80.6
      68.0      97.9
      69.0      72.5
      70.0      25.5
      71.0      12.0
      72.0       1.9
      77.0       3.6
      79.0      12.3
      80.0       3.1
      81.0      86.3
      82.0      56.2
      83.0      16.0
      84.0       3.9
      85.0       2.3
      86.0       1.0
      91.0       1.1
      93.0       1.8
      94.0       1.1
      95.0      46.7
      96.0      25.4
      97.0       3.3
      98.0       3.5
      99.0       1.9
     109.0       4.9
     114.0       1.3
     124.0      24.9
     125.0       2.5
     142.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
cis-3-nonen-1-ol

    Assign.     Shift(ppm)

      A             5.543
      B             5.364
      C             3.623
      D             2.322
      E             2.28
      F             2.062
      G             1.35
      J             1.30
      K             0.887

     Hz     ppm     Int.

   2230.35   5.581     36
   2228.88   5.578     61
   2227.42   5.574     36
   2223.02   5.563     76
   2221.56   5.559    124
   2219.97   5.555     91
   2218.02   5.550     88
   2216.43   5.546     65
   2214.23   5.541     75
   2212.28   5.536    107
   2210.69   5.532    162
   2209.23   5.528     91
   2204.83   5.517     52
   2203.37   5.514     85
   2202.03   5.510     48
   2157.35   5.399     50
   2155.88   5.395     82
   2154.30   5.391     47
   2150.02   5.380     97
   2148.44   5.376    162
   2146.85   5.372    107
   2145.02   5.368     70
   2142.82   5.362     65
   2141.11   5.358     93
   2139.28   5.353     98
   2137.57   5.349    123
   2136.11   5.345     68
   2131.84   5.335     37
   2130.25   5.331     62
   2128.66   5.327     33
   1454.83   3.641    495
   1448.24   3.624    937
   1441.53   3.607    505
    932.50   2.334    317
    931.88   2.332    348
    931.15   2.330    342
    925.17   2.315    353
    924.56   2.314    345
    923.83   2.312    311
    832.28   2.083    102
    825.68   2.067    268
    818.97   2.050    281
    811.77   2.032    118
    542.36   1.358    242
    527.83   1.321    254
    521.97   1.307    350
    519.04   1.299    590
    515.87   1.291    380
    512.21   1.282    288
    361.69   0.906    413
    354.86   0.888   1000
    347.90   0.871    434

in CDCl3