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WMUDHPOJGCQRCM-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

WMUDHPOJGCQRCM-UHFFFAOYSA-N
SpectraBase Compound ID I9xYcUT9zhR
InChI InChI=1S/C16H16N2O3S/c1-22(20,21)18-14-10-6-5-9-13(14)17-16(19)11-15(18)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,17,19)
InChIKey WMUDHPOJGCQRCM-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrMRWaJyAlg
Name 5-Mesyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-22(20,21)18-14-10-6-5-9-13(14)17-16(19)11-15(18)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,17,19)
InChIKey WMUDHPOJGCQRCM-UHFFFAOYSA-N
Molecular Weight 316.375 g/mol
SMILES N1C(CC(N(c2c1cccc2)S(=O)(=O)C)c1ccccc1)=O
SPLASH splash10-001j-1901000000-487edc7b85560f90dd18
Source of Spectrum KC-0-3480-3
Synonyms 5-Methylsulfonyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Wiley ID 829694