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1-Methyl-3,5-diphenyl-1,3-dihydro-2H-azepin-2-one

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

1-Methyl-3,5-diphenyl-1,3-dihydro-2H-azepin-2-one
SpectraBase Compound ID BXgpyLMP9tI
InChI InChI=1S/C19H17NO/c1-20-13-12-17(15-8-4-2-5-9-15)14-18(19(20)21)16-10-6-3-7-11-16/h2-14,18H,1H3
InChIKey SPROSWYNXOKLBH-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C19H17NO
Exact Mass 275.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ZO4Rb6RCxQ
Name 1-Methyl-3,5-diphenyl-1,3-dihydro-2H-azepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.131014170 u
Formula C19H17NO
InChI InChI=1S/C19H17NO/c1-20-13-12-17(15-8-4-2-5-9-15)14-18(19(20)21)16-10-6-3-7-11-16/h2-14,18H,1H3
InChIKey SPROSWYNXOKLBH-UHFFFAOYSA-N
Molecular Weight 275.351 g/mol
SMILES C1(=O)C(C=C(C=CN1C)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855334