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2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one

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

2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID By2RwCOSCZ7
InChI InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKey ZAGINEPNYIZLLO-UHFFFAOYSA-N
Mol Weight 245.66 g/mol
Molecular Formula C13H8ClNO2
Exact Mass 245.024356 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ZToEey9Ijr
Name 2-Chlorodibenzo[B,F][1,4]oxazepin-11(10H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.024356200 u
Formula C13H8ClNO2
InChI InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKey ZAGINEPNYIZLLO-UHFFFAOYSA-N
Molecular Weight 245.665 g/mol
SMILES C=12OC=3C(C(NC2=CC=CC1)=O)=CC(=CC3)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98301