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3-(4-Chlorophenyl)-2,5-dihydro-1-benzoxepine

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

3-(4-Chlorophenyl)-2,5-dihydro-1-benzoxepine
SpectraBase Compound ID Cbqx3Zq4q7q
InChI InChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)14-6-5-13-3-1-2-4-16(13)18-11-14/h1-4,6-10H,5,11H2
InChIKey NWDGOWCGKSXYAN-UHFFFAOYSA-N
Mol Weight 256.73 g/mol
Molecular Formula C16H13ClO
Exact Mass 256.065493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3peyY2AeNg
Name 3-(4-Chlorophenyl)-2,5-dihydro-1-benzoxepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.065492738 u
Formula C16H13ClO
InChI InChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)14-6-5-13-3-1-2-4-16(13)18-11-14/h1-4,6-10H,5,11H2
InChIKey NWDGOWCGKSXYAN-UHFFFAOYSA-N
Molecular Weight 256.732 g/mol
SMILES C1OC=2C(CC=C1C=1C=CC(=CC1)Cl)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893299