3-甲基苯乙醇(1875-89-4)核磁圖(¹HNMR)

產(chǎn)品名稱:3-甲基苯乙醇

CAS:1875-89-4

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3

InChIKey: KWHVBVJDKLSOTB-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=CC(C)=C1

Mass

MS-NW-5631          
m-methylphenethyl alcohol
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.7
      28.0       2.6
      29.0       1.0
      31.0       3.5
      38.0       1.1
      39.0       7.0
      41.0       1.5
      43.0       1.5
      50.0       2.1
      51.0       5.0
      52.0       1.9
      53.0       2.5
      62.0       1.2
      63.0       3.6
      65.0       5.0
      77.0      14.4
      78.0       4.8
      79.0      12.8
      80.0       1.0
      89.0       1.7
      91.0      28.4
      92.0       7.1
      93.0       1.3
     102.0       1.0
     103.0       7.9
     104.0       3.3
     105.0     100.0
     106.0      51.4
     107.0       4.8
     115.0       2.1
     117.0       3.7
     118.0       5.1
     119.0       1.0
     136.0      44.2
     137.0       4.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
m-methylphenethyl alcohol

    Assign.     Shift(ppm)

      A             7.19
      B             7.03
      C     *1      7.00
      D     *1      6.99
      E             2.800
      F             3.794
      G             2.322
      J             1.80
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    644.38   7.195     72
    643.50   7.186     66
    642.19   7.171     91
    637.31   7.117    273
    635.63   7.098     32
    633.94   7.079     37
    630.25   7.038    380
    629.75   7.032    380
    627.31   7.005    120
    626.69   6.998    116
    624.56   6.974     74
    623.19   6.959     53
    622.75   6.954     60
    622.25   6.948     57
    620.81   6.932     30
    347.25   3.878    207
    346.81   3.873    209
    340.63   3.804    428
    340.19   3.799    623
    333.94   3.729    303
    256.94   2.869    197
    250.38   2.796    334
    243.69   2.721    146
    208.31   2.326    958
    207.81   2.321    952
    161.56   1.804   1000

in CDCl3