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1-(2-Benzylcarbamoyl-phenyl)-3H-benzo[c][1,2]oxathiol-1-ium chloride
SpectraBase Compound ID ImsFXCuPUVN
InChI InChI=1S/C21H17NO2S.ClH/c23-21(22-14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)25-19-12-6-4-10-17(19)15-24-25;/h1-13H,14-15H2;1H
InChIKey UDSYRMVGWPRZDW-UHFFFAOYSA-N
Mol Weight 383.89 g/mol
Molecular Formula C21H18ClNO2S
Exact Mass 383.074678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfyaibGuTmn
Name 1-(2-Benzylcarbamoyl-phenyl)-3H-benzo[c][1,2]oxathiol-1-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClNO2S
InChI InChI=1S/C21H17NO2S.ClH/c23-21(22-14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)25-19-12-6-4-10-17(19)15-24-25;/h1-13H,14-15H2;1H
InChIKey UDSYRMVGWPRZDW-UHFFFAOYSA-N
Molecular Weight 383.893 g/mol
SMILES [Cl-].N(C(c1c([S+]2OCc3c2cccc3)cccc1)=O)Cc1ccccc1
SPLASH splash10-0006-9740000000-f77c688b325399191ca4
Synonyms 1-{2-[(benzylamino)carbonyl]phenyl}-3H-2,1-benzoxathiol-1-ium chloride
Wiley ID 1451723