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3-[(5-ethyl-4-thiadiazolyl)thio]propanoic acid ethyl ester
SpectraBase Compound ID 7oOwj0M6hAp
InChI InChI=1S/C9H14N2O2S2/c1-3-7-9(10-11-15-7)14-6-5-8(12)13-4-2/h3-6H2,1-2H3
InChIKey PKHRKHLGKOHQDY-UHFFFAOYSA-N
Mol Weight 246.34 g/mol
Molecular Formula C9H14N2O2S2
Exact Mass 246.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59XFEBAtMqq
Name 3-[(5-ethyl-4-thiadiazolyl)thio]propanoic acid ethyl ester
CAS Registry Number 114393-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2O2S2
InChI InChI=1S/C9H14N2O2S2/c1-3-7-9(10-11-15-7)14-6-5-8(12)13-4-2/h3-6H2,1-2H3
InChIKey PKHRKHLGKOHQDY-UHFFFAOYSA-N
Molecular Weight 246.343 g/mol
SMILES c1(nnsc1CC)SCCC(=O)OCC
SPLASH splash10-00di-9630000000-471f5c8ecf0b7d1736d1
Source of Spectrum Y-25-1881-2
Synonyms 3-[(5-ethylthiadiazol-4-yl)thio]propionic acid ethyl ester Ethyl 3-(5-ethylthiadiazol-4-yl)sulfanylpropanoate Ethyl 3-[(5-ethyl-1,2,3-thiadiazol-4-yl)sulfanyl]propanoate
Wiley ID 1248410