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4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
SpectraBase Compound ID HvZXzF4ljfn
InChI InChI=1S/C19H18N2O3S/c22-16(13-7-8-17-18(12-13)24-10-9-23-17)6-3-11-25-19-20-14-4-1-2-5-15(14)21-19/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,20,21)
InChIKey KHGQROBXIPLOHN-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kfHSNovWy
Name 4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Alternate Name(s) 4-(1H-benzimidazol-2-ylthio)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-butanone 4-(1H-benzimidazol-2-ylthio)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Butan-1-one, 4-(1H-benzoimidazol-2-ylsulfanyl)-1-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-
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Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c22-16(13-7-8-17-18(12-13)24-10-9-23-17)6-3-11-25-19-20-14-4-1-2-5-15(14)21-19/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,20,21)
InChIKey KHGQROBXIPLOHN-UHFFFAOYSA-N
Molecular Weight 354.424 g/mol
SMILES [nH]1c2ccccc2nc1SCCCC(c1cc2OCCOc2cc1)=O
SPLASH splash10-0nor-1931000000-6ec5d4ff919f1511d1b6
Wiley ID 1446898