For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

3-(4-Methoxyphenyl)-2,5-dihydro-1-benzoxepine
SpectraBase Compound ID CebAjQdhLBk
InChI InChI=1S/C17H16O2/c1-18-16-10-8-13(9-11-16)15-7-6-14-4-2-3-5-17(14)19-12-15/h2-5,7-11H,6,12H2,1H3
InChIKey KAPYSAVJKXXQDJ-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CzxkktJXh0E
Name 3-(4-Methoxyphenyl)-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 252.115029753 u
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-18-16-10-8-13(9-11-16)15-7-6-14-4-2-3-5-17(14)19-12-15/h2-5,7-11H,6,12H2,1H3
InChIKey KAPYSAVJKXXQDJ-UHFFFAOYSA-N
Molecular Weight 252.313 g/mol
SMILES C1OC=2C(CC=C1C=1C=CC(=CC1)OC)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895406