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Methanone, (4-methoxyphenyl)(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-1-yl)
SpectraBase Compound ID A5em9jNEmdA
InChI InChI=1S/C11H11N3O2S/c1-13-7-12-14(11(13)17)10(15)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3
InChIKey PSQFTNDVFLJXPV-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 5AgUgVlHoRg
Name Methanone, (4-methoxyphenyl)(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-1-yl)
CAS Registry Number 10-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-13-7-12-14(11(13)17)10(15)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3
InChIKey PSQFTNDVFLJXPV-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES COc1ccc(C(N2C(N(C)C=N2)=S)=O)cc1
SPLASH splash10-000i-3900000000-38a5fbfee5f2e94e45f9
Synonyms (4-Methoxy-phenyl)-(4-methyl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-yl)-methanone (4-methoxyphenyl)-(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methanone (4-methoxyphenyl)-(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methanone
Wiley ID 1462915