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Ethyl 4,5-Dihydro-1-phenyl-5-thioxo-1,2,4-[1H]triazole-3-carboxylate
SpectraBase Compound ID IvMNNgy649W
InChI InChI=1S/C11H11N3O2S/c1-2-16-10(15)9-12-11(17)14(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,17)
InChIKey CIYREKVQIHKMKC-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hsq9vDwUNjb
Name Ethyl 4,5-Dihydro-1-phenyl-5-thioxo-1,2,4-[1H]triazole-3-carboxylate
Alternate Name(s) Ethyl 1-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-2-16-10(15)9-12-11(17)14(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,17)
InChIKey CIYREKVQIHKMKC-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19980909)81_9_1585
Molecular Weight 249.288 g/mol
SMILES N1C(=NN(C1=S)c1ccccc1)C(=O)OCC
SPLASH splash10-002b-3190000000-ea0205d55ba523bd5834
Source of Spectrum H-81-1593-11
Wiley ID 1785330