3360-41-6

4-苯基丁醇(3360-41-6)質(zhì)譜(MS)

產(chǎn)品名稱:4-苯基丁醇

CAS:3360-41-6

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey: LDZLXQFDGRCELX-UHFFFAOYSA-N

Smiles:C1(CCCCO)=CC=CC=C1

Mass

MS-NW-5588          
4-phenyl-1-butanol
C10H14O             (Mass of molecular ion:    150)

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

      27.0       3.1
      28.0       1.2
      29.0       1.2
      31.0       6.5
      39.0       6.5
      41.0       4.9
      50.0       1.7
      51.0       5.1
      52.0       1.4
      53.0       1.0
      63.0       2.9
      65.0      12.1
      77.0       6.0
      78.0       6.6
      79.0       4.3
      89.0       2.2
      90.0       1.2
      91.0      81.2
      92.0      11.0
      93.0       1.1
     103.0       3.6
     104.0     100.0
     105.0      12.1
     106.0       1.5
     115.0       3.6
     116.0       1.4
     117.0      24.5
     118.0       2.5
     131.0       4.1
     132.0      12.4
     133.0       1.4
     150.0      19.2
     151.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
4-phenyl-1-butanol

    Assign.     Shift(ppm)

      A          7.27 to 7.14
      B             3.619
      C             2.62
      D          1.68 to 1.56

     Hz     ppm     Int.

    658.44   7.352     93
    655.75   7.322     47
    655.25   7.317     48
    653.13   7.293     72
    650.63   7.265    178
    648.00   7.236    208
    645.94   7.213   1000
    644.38   7.195    977
    641.00   7.158    158
    640.50   7.152    139
    639.19   7.138     90
    638.44   7.129    113
    637.75   7.121     71
    636.88   7.112    103
    631.88   7.056     47
    330.44   3.690    200
    328.69   3.671     75
    326.94   3.651     55
    326.44   3.645     68
    324.13   3.620    627
    322.13   3.597    144
    320.38   3.578     83
    317.94   3.551    205
    242.88   2.712     83
    240.94   2.691     53
    240.38   2.685     50
    240.19   2.682     50
    238.06   2.659    110
    235.75   2.633    251
    233.38   2.606     88
    232.19   2.593     65
    231.31   2.583     67
    228.63   2.553    161
    160.31   1.790     86
    155.94   1.742     97
    153.56   1.715    136
    151.94   1.697    124
    149.06   1.665    433
    146.19   1.633    929
    143.75   1.606    189
    142.31   1.589    490
    139.63   1.560    157
    137.31   1.534     75
    134.94   1.507     69
    132.00   1.474     54
    127.75   1.427     46

in CDCl3