Product NameN-ISOVALERYLGLYCINE
CAS16284-60-9
Molecular FormulaC7H13NO3
Molecular Weight159.18
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey ZRQXMKMBBMNNQC-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(=O)CC(C)C

Mass
MS-NW-2171 n-isovalerylglycine C7H13NO3 (Mass of molecular ion: 159)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.4
17.0 1.1
18.0 5.6
26.0 1.3
27.0 14.5
28.0 10.7
29.0 30.9
30.0 74.1
31.0 3.4
38.0 1.0
39.0 12.5
40.0 2.1
41.0 43.4
42.0 5.8
43.0 15.3
44.0 33.3
45.0 3.0
48.0 1.3
53.0 1.4
54.0 2.2
55.0 7.3
56.0 21.6
57.0 100.0
58.0 5.9
59.0 1.3
60.0 1.9
69.0 19.5
70.0 1.3
71.0 7.5
72.0 6.0
73.0 5.0
74.0 24.4
75.0 5.8
76.0 41.7
77.0 1.5
83.0 3.0
84.0 3.3
85.0 35.2
86.0 4.7
87.0 1.1
89.0 15.1
98.0 1.9
99.0 11.2
100.0 5.0
102.0 3.0
103.0 1.1
113.0 3.0
114.0 5.2
115.0 3.0
117.0 89.6
118.0 4.6
131.0 34.7
132.0 2.2
141.0 2.2
144.0 2.6
159.0 3.6

KBr disc

nujol mull

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