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3-[(5-methyl-4-thiadiazolyl)thio]propanoic acid ethyl ester
SpectraBase Compound ID ApxYBTre4pr
InChI InChI=1S/C8H12N2O2S2/c1-3-12-7(11)4-5-13-8-6(2)14-10-9-8/h3-5H2,1-2H3
InChIKey PPAJSRLZCWOQQO-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C8H12N2O2S2
Exact Mass 232.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVD0lYOsMe3
Name 3-[(5-methyl-4-thiadiazolyl)thio]propanoic acid ethyl ester
CAS Registry Number 114393-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2S2
InChI InChI=1S/C8H12N2O2S2/c1-3-12-7(11)4-5-13-8-6(2)14-10-9-8/h3-5H2,1-2H3
InChIKey PPAJSRLZCWOQQO-UHFFFAOYSA-N
Molecular Weight 232.316 g/mol
SMILES c1(nnsc1C)SCCC(=O)OCC
SPLASH splash10-0pb9-9620000000-a07d61eefb8ac6c57784
Source of Spectrum Y-25-1881-2
Synonyms 3-[(5-methylthiadiazol-4-yl)thio]propionic acid ethyl ester Ethyl 3-(5-methylthiadiazol-4-yl)sulfanylpropanoate Ethyl 3-[(5-methyl-1,2,3-thiadiazol-4-yl)sulfanyl]propanoate
Wiley ID 1233195