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1-(1,3-Benzodioxol-5-ylcarbonyl)-2-(2-propynylsulfanyl)-1H-benzimidazole
SpectraBase Compound ID EcRUsKKQSde
InChI InChI=1S/C18H12N2O3S/c1-2-9-24-18-19-13-5-3-4-6-14(13)20(18)17(21)12-7-8-15-16(10-12)23-11-22-15/h1,3-8,10H,9,11H2
InChIKey CKBAFXACQYXSSV-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C18H12N2O3S
Exact Mass 336.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlfdNMMJhEp
Name 1-(1,3-Benzodioxol-5-ylcarbonyl)-2-(2-propynylsulfanyl)-1H-benzimidazole
CAS Registry Number 325694-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O3S
InChI InChI=1S/C18H12N2O3S/c1-2-9-24-18-19-13-5-3-4-6-14(13)20(18)17(21)12-7-8-15-16(10-12)23-11-22-15/h1,3-8,10H,9,11H2
InChIKey CKBAFXACQYXSSV-UHFFFAOYSA-N
Molecular Weight 336.365 g/mol
SMILES c1ccc2[n](c(nc2c1)SCC#C)C(c1cc2OCOc2cc1)=O
SPLASH splash10-0002-5901000000-62a92a95ac20ccee194d
Synonyms 1,3-benzodioxol-5-yl-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone 1,3-benzodioxol-5-yl-[2-(prop-2-ynylthio)-1-benzimidazolyl]methanone 1,3-benzodioxol-5-yl-[2-(propargylthio)benzimidazol-1-yl]methanone Benzo[1,3]dioxol-5-yl-(2-prop-2-ynylsulfanyl-benzoimidazol-1-yl)-methanone
Wiley ID 1459686