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

*Links on SpectraBase are not permalinks.

(S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

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

(S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
SpectraBase Compound ID AHmlbZ3y852
InChI InChI=1S/C18H29N/c1-2-3-4-5-6-7-12-18-15-17-11-9-8-10-16(17)13-14-19-18/h8-11,18-19H,2-7,12-15H2,1H3/t18-/m0/s1
InChIKey GBQGSOCSZKIFCK-SFHVURJKSA-N
Mol Weight 259.44 g/mol
Molecular Formula C18H29N
Exact Mass 259.23 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 BXLBu6qIPh3
Name (S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[D]azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.229999938 u
Formula C18H29N
InChI InChI=1S/C18H29N/c1-2-3-4-5-6-7-12-18-15-17-11-9-8-10-16(17)13-14-19-18/h8-11,18-19H,2-7,12-15H2,1H3/t18-/m0/s1
InChIKey GBQGSOCSZKIFCK-SFHVURJKSA-N
Molecular Weight 259.437 g/mol
SMILES C=12C[C@@](NCCC2=CC=CC1)(CCCCCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823027