Thioacetic acid(507-09-5) MS
Product NameThioacetic acid
CAS507-09-5
Molecular FormulaC2H4OS
Molecular Weight76.12
InChIInChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
InChIKey DUYAAUVXQSMXQP-UHFFFAOYSA-N
SmilesC(=S)(O)C
-
MassMS2017-05397CM thioacetic acid C2H4OS (Mass of molecular ion: 76)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.4 15.0 10.7 32.0 1.5 33.0 4.7 34.0 3.0 41.0 1.8 42.0 8.9 43.0 100.0 44.0 2.2 45.0 4.6 47.0 1.5 57.0 1.9 58.0 1.7 60.0 1.9 61.0 9.0 76.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C2 H4 O S 0.05 ml : 0.5 ml CDCl3 thioacetic acid 
Assign. Shift(ppm)
A 5.09 B 2.407
Hz ppm Int.2034.79 5.092 31 973.02 2.435 23 972.05 2.433 28 971.19 2.431 24 962.04 2.408 1000 896.00 2.242 21
in CDCl3
Liquid film
