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

*Links on SpectraBase are not permalinks.

3-Bromophenethylamine hex

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

3-Bromophenethylamine hex
SpectraBase Compound ID D1zAHxIZw2r
InChI InChI=1S/C14H20BrNO/c1-2-3-4-8-14(17)16-10-9-12-6-5-7-13(15)11-12/h5-7,11H,2-4,8-10H2,1H3,(H,16,17)
InChIKey CDRXGVMDCKNTAI-UHFFFAOYSA-N
Mol Weight 298.22 g/mol
Molecular Formula C14H20BrNO
Exact Mass 297.072827 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 EuYTwwsHucB
Name 3-Bromophenethylamine hex
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.072827267 u
Formula C14H20BrNO
InChI InChI=1S/C14H20BrNO/c1-2-3-4-8-14(17)16-10-9-12-6-5-7-13(15)11-12/h5-7,11H,2-4,8-10H2,1H3,(H,16,17)
InChIKey CDRXGVMDCKNTAI-UHFFFAOYSA-N
Molecular Weight 298.224 g/mol
SMILES C=1(C=C(C=CC1)Br)CCNC(CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901065