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1-(1,3-Benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SpectraBase Compound ID 6uUx31F5GLg
InChI InChI=1S/C12H11N3O3S/c1-15-6-13-14-12(15)19-5-9(16)8-2-3-10-11(4-8)18-7-17-10/h2-4,6H,5,7H2,1H3
InChIKey UFOVFQCRKXZXDA-UHFFFAOYSA-N
Mol Weight 277.3 g/mol
Molecular Formula C12H11N3O3S
Exact Mass 277.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll0toIk81XP
Name 1-(1,3-Benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS Registry Number 299920-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3S
InChI InChI=1S/C12H11N3O3S/c1-15-6-13-14-12(15)19-5-9(16)8-2-3-10-11(4-8)18-7-17-10/h2-4,6H,5,7H2,1H3
InChIKey UFOVFQCRKXZXDA-UHFFFAOYSA-N
Molecular Weight 277.298 g/mol
SMILES C[n]1c(nnc1)SCC(c1cc2OCOc2cc1)=O
SPLASH splash10-0002-5910000000-39ae47d1fbd99e2e29da
Source of Spectrum AD-0-2532-0
Synonyms 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone
Wiley ID 1429307