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

*Links on SpectraBase are not permalinks.

hexahydro-3-(m-methoxyphenyl)-1-methyl-2H-azepin-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

hexahydro-3-(m-methoxyphenyl)-1-methyl-2H-azepin-2-one
SpectraBase Compound ID JfIv0owHNM9
InChI InChI=1S/C14H19NO2/c1-15-9-4-3-8-13(14(15)16)11-6-5-7-12(10-11)17-2/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKey HPYQDDXKEGCTGC-UHFFFAOYSA-N
Mol Weight 233.31 g/mol
Molecular Formula C14H19NO2
Exact Mass 233.141579 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7tM5F9LOXMl
Name Hexahydro-3-(m-methoxyphenyl)-1-methyl-2H-azepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.141578854 u
Formula C14H19NO2
InChI InChI=1S/C14H19NO2/c1-15-9-4-3-8-13(14(15)16)11-6-5-7-12(10-11)17-2/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKey HPYQDDXKEGCTGC-UHFFFAOYSA-N
Molecular Weight 233.311 g/mol
SMILES C=1C(=CC(=CC1)C1CCCCN(C1=O)C)OC
Spectrum/Structure Validation Score (Raman) 0.822056