562-74-3

4-萜烯醇(562-74-3)質(zhì)譜(MS)

產(chǎn)品名稱:4-萜烯醇

CAS:562-74-3

分子式:C10H18O

分子量: 154.25

InChI:InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3

InChIKey: WRYLYDPHFGVWKC-UHFFFAOYSA-N

Smiles:C1(C(C)C)(O)CCC(C)=CC1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6105          
1-p-menthen-4-ol
C10H18O             (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.3
      27.0      11.6
      28.0       1.7
      29.0       5.4
      31.0       1.9
      39.0      10.3
      40.0       2.8
      41.0      23.2
      42.0       2.7
      43.0      29.1
      44.0       1.3
      45.0       2.0
      51.0       2.6
      52.0       1.4
      53.0       9.2
      54.0       1.5
      55.0      17.3
      56.0       1.3
      57.0       2.4
      58.0       2.8
      59.0       3.6
      65.0       3.1
      66.0       1.3
      67.0      13.8
      68.0      15.3
      69.0      21.3
      70.0       3.8
      71.0     100.0
      72.0       5.2
      77.0       8.9
      78.0       1.6
      79.0       4.8
      80.0       1.1
      81.0      12.5
      82.0       3.4
      83.0      10.2
      84.0       1.8
      85.0       2.0
      86.0      27.3
      87.0       2.3
      91.0       7.7
      92.0       6.9
      93.0      43.5
      94.0       4.6
      95.0       6.0
      96.0       1.5
      97.0       1.7
      98.0       1.8
     105.0       1.4
     107.0       1.7
     109.0       1.5
     110.0       4.4
     111.0      49.9
     112.0       4.0
     119.0       2.2
     121.0       4.8
     125.0       2.5
     136.0       8.8
     137.0       1.5
     139.0       2.9
     154.0      14.9
     155.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
1-p-menthen-4-ol

    Assign.     Shift(ppm)

      A             5.291
      B     *1      2.15
      C     *1      1.91
      D             1.68
      E             1.64
      F             1.55
      G     *2      0.944
      J     *2      0.916
     
     assigned by C-H COSY

     Hz     ppm     Int.

   2120.00   5.305     42
   2116.46   5.296    107
   2115.23   5.293    116
   2113.89   5.290    114
   2113.04   5.288    115
   2111.69   5.284    108
    853.64   2.136    119
    770.51   1.928     87
    768.43   1.923     82
    767.46   1.921     80
    766.97   1.920     79
    763.67   1.911     90
    761.96   1.907     91
    760.50   1.903     81
    671.51   1.681    631
    667.72   1.671    315
    660.64   1.654    223
    653.56   1.636    143
    634.28   1.588     74
    628.30   1.573    103
    623.41   1.560     95
    621.70   1.556     55
    621.09   1.555     55
    617.31   1.545     68
    616.70   1.544     67
    615.11   1.540     57
    610.23   1.527     46
    604.37   1.513     39
    380.62   0.953    915
    373.78   0.936    904
    369.75   0.926   1000
    362.79   0.908    973

in CDCl3