产品名称:2-BROMO-3-METHYLBUTYRIC ACID
CAS:10323-40-7
分子式:C5H9BrO2
分子量: 181.03
InChI:InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N
Smiles:C(O)(=O)C(Br)C(C)C
MS
1HNMR
13CNMR
IR1
IR2
IR3
IR
Raman
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
Assign. Shift(ppm) A 11.22 B 4.088 C 2.26 D *1 1.130 E *1 1.091
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
更多供应商
2-BROMO-3-METHYLBUTYRIC ACID(10323-40-7)红外图谱(IR3)相关产品图谱