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1-Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4H-1,2,4-triazol-3-ylthio)-

View entire compound with spectra: 1 MS (GC)

1-Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4H-1,2,4-triazol-3-ylthio)-
SpectraBase Compound ID 62uLz8FNW79
InChI InChI=1S/C12H11N3O3S/c16-9(6-19-12-13-7-14-15-12)8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5,7H,3-4,6H2,(H,13,14,15)
InChIKey FUZRMCQAZVTKFG-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 EaAS5j4mzdl
Name 1-Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4H-1,2,4-triazol-3-ylthio)-
Alternate Name(s) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3S
InChI InChI=1S/C12H11N3O3S/c16-9(6-19-12-13-7-14-15-12)8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5,7H,3-4,6H2,(H,13,14,15)
InChIKey FUZRMCQAZVTKFG-UHFFFAOYSA-N
Molecular Weight 277.298 g/mol
SMILES [nH]1cnnc1SCC(c1cc2OCCOc2cc1)=O
SPLASH splash10-03di-8900000000-69e66aa0fe010083c759
Source of Spectrum IY-1-4347-2
Wiley ID 1651455