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2-phenyl-4H-1,4-benzoxazepin-5-one

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

2-phenyl-4H-1,4-benzoxazepin-5-one
SpectraBase Compound ID 2h3evMOVep5
InChI InChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)18-14(10-16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKey MLPZJRXUBWMXEA-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C15H11NO2
Exact Mass 237.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KOIugTMTr9v
Name 2-Phenyl-4H-1,4-benzoxazepin-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.078978596 u
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)18-14(10-16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKey MLPZJRXUBWMXEA-UHFFFAOYSA-N
Molecular Weight 237.258 g/mol
SMILES C=1(OC=2C(C(NC1)=O)=CC=CC2)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895968