Product Name2-BROMO-3-METHYLBUTYRIC ACID
CAS10323-40-7
Molecular FormulaC5H9BrO2
Molecular Weight181.03
InChIInChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChIKey UEBARDWJXBGYEJ-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)C(C)C

Mass
MS-NW-1811 2-bromoisovaleric acid C5H9BrO2 (Mass of molecular ion: 180)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.1
18.0 1.3
26.0 4.5
27.0 42.4
28.0 7.2
29.0 35.1
31.0 3.6
37.0 2.8
38.0 6.4
39.0 49.0
40.0 7.7
41.0 88.5
42.0 7.3
43.0 91.1
44.0 6.5
45.0 11.7
50.0 2.4
51.0 2.7
53.0 6.4
54.0 2.7
55.0 36.2
56.0 9.0
57.0 12.1
58.0 1.0
59.0 17.8
60.0 2.6
68.0 4.5
69.0 4.4
71.0 1.2
73.0 3.9
79.0 1.8
80.0 4.6
81.0 1.9
82.0 4.5
83.0 9.4
84.0 1.3
85.0 9.0
86.0 2.4
100.0 3.6
101.0 25.0
102.0 1.5
107.0 1.0
120.0 7.9
121.0 1.5
122.0 7.8
123.0 1.0
135.0 1.6
137.0 1.6
138.0 100.0
139.0 2.4
140.0 96.9
141.0 2.2
163.0 1.0
165.0 1.2
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C5 H9 Br O2 | 0.048 g : 0.5 ml CDCl3 |
| (+-)-2-bromo-3-methylbutyric acid | |
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Assign. Shift(ppm) |
Hz ppm Int.
1005.05 11.223 272
370.17 4.134 447
362.56 4.049 480
212.68 2.375 61
206.10 2.302 102
199.44 2.227 103
198.50 2.217 72
192.94 2.155 62
192.09 2.145 60
185.51 2.072 31
104.25 1.165 1000
100.74 1.125 984
97.67 1.091 867
94.17 1.052 829
in CDCl3

CCl4 solution

KBr disc

Liquid film

nujol mull

4880 A,200 M,powder

2-BROMO-3-METHYLBUTYRIC ACID(10323-40-7) Raman Atlas of Related Products
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