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5-[(3-keto-3-methoxy-propyl)thio]thiadiazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID IXrfmnVKPvp
InChI InChI=1S/C9H12N2O4S2/c1-3-15-8(13)7-9(17-11-10-7)16-5-4-6(12)14-2/h3-5H2,1-2H3
InChIKey NXUVMACZVQYXHI-UHFFFAOYSA-N
Mol Weight 276.32 g/mol
Molecular Formula C9H12N2O4S2
Exact Mass 276.023849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Luk9fEo9BJ
Name 5-[(3-keto-3-methoxy-propyl)thio]thiadiazole-4-carboxylic acid ethyl ester
CAS Registry Number 69893-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4S2
InChI InChI=1S/C9H12N2O4S2/c1-3-15-8(13)7-9(17-11-10-7)16-5-4-6(12)14-2/h3-5H2,1-2H3
InChIKey NXUVMACZVQYXHI-UHFFFAOYSA-N
Molecular Weight 276.325 g/mol
SMILES c1(c(snn1)SCCC(=O)OC)C(=O)OCC
SPLASH splash10-0a4i-9420000000-93b5d0b8b88c3ee65b97
Source of Spectrum Y-15-1297-0
Synonyms 5-[(3-methoxy-3-oxopropyl)thio]-4-thiadiazolecarboxylic acid ethyl ester Ethyl 5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-1,2,3-thiadiazole-4-carboxylate Ethyl 5-(3-methoxy-3-oxo-propyl)sulfanylthiadiazole-4-carboxylate
Wiley ID 1279460