2,4-Thiazolidinedione(2295-31-0) MS
Product Name2,4-Thiazolidinedione
CAS2295-31-0
Molecular FormulaC3H3NO2S
Molecular Weight117.13
InChIInChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey ZOBPZXTWZATXDG-UHFFFAOYSA-N
SmilesS1CC(=O)NC1=O
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MassMS-IW-5617 2,4-thiazolidinedione C3H3NO2S (Mass of molecular ion: 117)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 2.0 32.0 1.0 42.0 3.5 43.0 2.0 44.0 1.7 45.0 8.0 46.0 39.6 47.0 1.4 48.0 2.0 70.0 1.5 74.0 48.5 75.0 1.5 76.0 2.4 89.0 2.3 117.0 100.0 118.0 5.0 119.0 5.0
in DMSO-d6 at 40 C
in DMSO-d6 at 40 C
KBr disc
nujol mull
