5-Bromovaleric acid(2067-33-6) IR1

Product Name5-Bromovaleric acid

CAS 2067-33-6

Molecular FormulaC5H9BrO2

Molecular Weight181.03

InChIInChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

InChIKey WNXNUPJZWYOKMW-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCBr

Request For Quotation

Mass

MS-NW-6230          
5-bromovaleric acid
C5H9BrO2            (Mass of molecular ion:    180)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.4
      15.0       3.1
      17.0       1.0
      18.0       3.9
      26.0       8.7
      27.0      48.2
      28.0      22.9
      29.0      33.8
      30.0       1.9
      31.0       7.3
      37.0       1.5
      38.0       2.6
      39.0      23.9
      40.0       4.8
      41.0      59.4
      42.0      36.0
      43.0      26.5
      44.0       3.1
      45.0      15.1
      50.0       2.2
      51.0       2.4
      53.0       6.1
      54.0       6.3
      55.0     100.0
      56.0      31.7
      57.0       6.5
      58.0       3.6
      59.0      30.6
      60.0       5.9
      70.0       5.2
      71.0       1.8
      73.0      86.3
      74.0       8.3
      79.0       3.4
      80.0       9.1
      81.0       3.7
      82.0       9.2
      83.0      39.8
      84.0       2.5
      87.0       3.2
      93.0       1.7
      95.0       1.5
     100.0       9.8
     101.0      77.0
     102.0       4.7
     107.0       4.6
     109.0       4.1
     152.0       1.3
     154.0       1.3
     180.0       1.7
     182.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Br O₂	0.042 g : 0.5 ml CDCl₃
5-bromovaleric acid

    Assign.     Shift(ppm)

      A            11.6
      B             3.33
      C             2.32
      D             1.75

     Hz     ppm     Int.

1038.4	11.595	289
 304.9	3.404	260
 303.45	3.388	116
 300.29	3.353	179
 298.58	3.334	1000
 293.88	3.281	147
 292.34	3.264	406
 216.04	2.412	108
 214.76	2.398	251
 211.94	2.367	55
 210.82	2.354	74
 208.18	2.325	615
 205.78	2.298	154
 201.60	2.251	294
 198.52	2.217	37
 178.78	1.996	36
 175.88	1.964	36
 175.53	1.960	40
 175.02	1.954	38
 173.91	1.942	57
 173.14	1.933	53
 172.03	1.921	92
 169.98	1.898	99
 166.73	1.862	179
 165.02	1.843	226
 162.72	1.817	480
 159.56	1.782	436
 158.36	1.768	350
 157.42	1.758	370
 156.74	1.750	316
 155.97	1.742	405
 154.17	1.721	189
 151.35	1.690	195
 148.11	1.654	84
 147.51	1.647	89
 146.91	1.640	65
 145.63	1.626	89
 143.23	1.599	56
 141.87	1.584	41

in CDCl3