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5-OXO-2,3,4,5-TETRAHYDRO-3-THIOXO-as-TRIAZINE-6-CARBOXYLIC ACID, ETHYL ESTER
SpectraBase Compound ID JsLL8ERsy3Y
InChI InChI=1S/C6H7N3O3S/c1-2-12-5(11)3-4(10)7-6(13)9-8-3/h2H2,1H3,(H2,7,9,10,13)
InChIKey CVUZWTLCUJJDHG-UHFFFAOYSA-N
Mol Weight 201.2 g/mol
Molecular Formula C6H7N3O3S
Exact Mass 201.020812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aYKkroTzYA
Name Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
CAS Registry Number 51101-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O3S
InChI InChI=1S/C6H7N3O3S/c1-2-12-5(11)3-4(10)7-6(13)9-8-3/h2H2,1H3,(H2,7,9,10,13)
InChIKey CVUZWTLCUJJDHG-UHFFFAOYSA-N
Molecular Weight 201.200 g/mol
SMILES N1C(NC(C(=N1)C(=O)OCC)=O)=S
SPLASH splash10-0zfr-9330000000-da4c556dd630d6e8dcd2
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-5-oxo-3-thioxo-, ethyl ester 5-keto-3-thioxo-2H-1,2,4-triazine-6-carboxylic acid ethyl ester 5-Oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid ethyl ester Ethyl 5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate Ethyl 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylate Ethyl 5-oxo-3-thioxo-2H-1,2,4-triazine-6-carboxylate
Wiley ID 1427392