26146-77-0

(E)-(3-broMoprop-1-en-1-yl)benzene(26146-77-0)质谱(MS)

产品名称:(E)-(3-broMoprop-1-en-1-yl)benzene

CAS:26146-77-0

分子式:C9H9Br

分子量: 197.07

InChI:InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+

InChIKey: RUROFEVDCUGKHD-QPJJXVBHSA-N

Smiles:C1(/C=C/CBr)=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8602          
trans-cinnamyl bromide
C9H9Br              (Mass of molecular ion:    196)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       1.1
      38.0       1.2
      39.0       6.9
      50.0       3.3
      51.0       5.8
      52.0       1.5
      57.0       1.6
      57.5       5.2
      58.0       4.0
      62.0       2.1
      63.0       5.1
      64.0       1.1
      65.0       3.9
      74.0       1.3
      75.0       1.1
      76.0       1.2
      77.0       3.3
      78.0       1.5
      89.0       4.0
      91.0      17.1
      92.0       1.4
     102.0       2.0
     105.0       1.6
     115.0      34.8
     116.0      13.9
     117.0     100.0
     118.0      10.6
     196.0       1.8
     198.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Br	0.05 ml : 0.5 ml CDCl₃
trans-cinnamyl bromide

    Assign.     Shift(ppm)

      A             7.34
      B             7.29
      C             7.24
      D             6.589
      E             6.355
      F             4.104
     
     J(E,F)=7.8HZ
     J(D,F)=-1.0HZ
     J(D,E)=15.6HZ

     Hz     ppm     Int.

   2973.14   7.440     30
   2971.56   7.436     32
   2970.46   7.433     33
   2969.60   7.431     34
   2968.99   7.429     35
   2967.04   7.425     37
   2957.52   7.401     59
   2956.67   7.399     60
   2941.28   7.360    425
   2939.70   7.356    594
   2932.62   7.338    884
   2931.52   7.336    936
   2927.00   7.324    253
   2922.85   7.314    442
   2921.75   7.311    627
   2919.68   7.306    415
   2914.67   7.294    981
   2912.84   7.289    580
   2911.13   7.285    275
   2908.57   7.278    604
   2907.23   7.275    546
   2905.40   7.270    405
   2903.93   7.267    278
   2903.20   7.265    263
   2901.12   7.260    149
   2899.05   7.254    302
   2897.46   7.250    464
   2896.00   7.247    296
   2893.07   7.240    200
   2890.38   7.233    430
   2887.57   7.226    170
   2886.11   7.222    123
   2884.77   7.219    148
   2883.42   7.215    182
   2881.84   7.211    142
   2874.51   7.193     59
   2870.73   7.184     51
   2864.87   7.169     41
   2864.50   7.168     41
   2861.57   7.161     35
   2642.58   6.613    293
   2626.95   6.574    420
   2554.32   6.392    255
   2546.63   6.373    506
   2538.82   6.353    421
   2531.01   6.334    376
   2523.19   6.314    186
   1644.53   4.115    937
   1643.55   4.113   1000
   1636.72   4.096    919
   1635.74   4.093    986

in CDCl3

liquid film

Compound Net Biotechnology Inc.