Product NameALLYLSULFANYL-ACETIC ACID
CAS20600-63-9
Molecular FormulaC5H8O2S
Molecular Weight132.18
InChIInChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey BLSMRHBHPHGMSV-UHFFFAOYSA-N
SmilesC(O)(=O)CSCC=C

Mass
MS-NW-6799 (allylthio)acetic acid C5H8O2S (Mass of molecular ion: 132)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4
15.0 1.8
18.0 2.2
26.0 1.1
27.0 4.6
28.0 2.8
29.0 1.5
31.0 2.0
37.0 1.8
38.0 3.8
39.0 30.2
40.0 3.8
41.0 64.5
42.0 5.8
43.0 1.5
44.0 4.3
45.0 43.3
46.0 10.8
47.0 14.9
53.0 4.3
57.0 2.3
58.0 1.3
59.0 2.8
60.0 7.7
61.0 1.1
69.0 1.3
71.0 5.1
72.0 7.8
73.0 100.0
74.0 5.6
75.0 5.0
77.0 2.0
85.0 4.1
86.0 2.5
87.0 15.5
88.0 1.1
114.0 1.0
132.0 47.3
133.0 3.5
134.0 2.6
in CDCl3

liquid film

ALLYLSULFANYL-ACETIC ACID(20600-63-9) IR1 Atlas of Related Products
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