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5-(3-Methoxy-3-oxidanylidene-propyl)sulfanyl-1,2,3-thiadiazole-4-carboxylic acid
SpectraBase Compound ID 1Ru7Y8yNAxf
InChI InChI=1S/C7H8N2O4S2/c1-13-4(10)2-3-14-7-5(6(11)12)8-9-15-7/h2-3H2,1H3,(H,11,12)
InChIKey PBXLXKNXCVAMTC-UHFFFAOYSA-N
Mol Weight 248.27 g/mol
Molecular Formula C7H8N2O4S2
Exact Mass 247.992549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QQQQN6Vhzu
Name 5-(3-Methoxy-3-oxidanylidene-propyl)sulfanyl-1,2,3-thiadiazole-4-carboxylic acid
CAS Registry Number 69893-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2O4S2
InChI InChI=1S/C7H8N2O4S2/c1-13-4(10)2-3-14-7-5(6(11)12)8-9-15-7/h2-3H2,1H3,(H,11,12)
InChIKey PBXLXKNXCVAMTC-UHFFFAOYSA-N
Molecular Weight 248.271 g/mol
SMILES OC(c1c(snn1)SCCC(=O)OC)=O
SPLASH splash10-0udi-0510490132-add6129900f489a5fdd8
Source of Spectrum Y-15-1297-0
Synonyms 5-(3-Methoxy-3-oxo-propyl)sulfanylthiadiazole-4-carboxylic acid 5-[(3-keto-3-methoxy-propyl)thio]thiadiazole-4-carboxylic acid 5-[(3-methoxy-3-oxopropyl)thio]-4-thiadiazolecarboxylic acid
Wiley ID 1250375