106-94-5

溴丙烷(106-94-5)Raman光谱

产品名称:溴丙烷

CAS:106-94-5

分子式:C3H7Br

分子量: 122.99

InChI:InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3

InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N

Smiles:C(Br)CC

Mass

MS-NW-5066          
1-bromopropane
C3H7Br              (Mass of molecular ion:    122)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      26.0       2.4
      27.0      25.6
      28.0       1.6
      29.0       4.0
      37.0       1.2
      38.0       2.2
      39.0       9.0
      40.0       2.1
      41.0      31.0
      42.0       7.7
      43.0     100.0
      44.0       3.5
      93.0       1.1
      95.0       1.0
     107.0       1.5
     109.0       1.2
     122.0       8.6
     124.0       8.3

90 MHz in CDCl3

parameter in benzene

¹H NMR	89.56 MHz
C₃ H₇ Br	0.02 ml : 0.5 ml CDCl₃
1-bromopropane

    Assign.     Shift(ppm)

      A             3.386
      B             1.870
      C             1.031

     Hz     ppm     Int.

    310.38   3.466    353
    303.56   3.390    769
    297.06   3.317    454
    179.63   2.006     75
    178.94   1.998    159
    172.25   1.924    225
    166.06   1.855    161
    165.19   1.845    280
    158.38   1.769    194
     98.88   1.105    485
     92.00   1.028   1000
     91.44   1.021    608
     84.50   0.944    323
     83.75   0.936    173

¹H NMR	300 MHz
C₃ H₇ Br	90 vol% in benzene
1-bromopropane

    Parameter     ppm  Hz

      D(A)         3.177
      D(B)         1.683
      D(C)         0.848
       J(A,B)          6.67
       J(A,C)         -0.05
       J(B,C)          7.29
     
     SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)

     Hz     ppm     Int.

    959.82   3.199    342
    953.16   3.177    700
    946.50   3.155    364
    522.60   1.742     40
    515.36   1.718    146
    508.57   1.695    288
    501.38   1.671    293
    494.56   1.649    156
    487.44   1.625     45
    261.59   0.872    504
    254.31   0.848   1000
    247.03   0.823    444

in CDCl3