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Phenylpropylamine N-2-chlorobenzyl

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

Phenylpropylamine N-2-chlorobenzyl
SpectraBase Compound ID AcUhGQ1Hqem
InChI InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2
InChIKey BDJQBMFAPBDWMS-UHFFFAOYSA-N
Mol Weight 259.78 g/mol
Molecular Formula C16H18ClN
Exact Mass 259.112777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lsz7k3q7YB
Name Phenylpropylamine N-2-chlorobenzyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.112777284 u
Formula C16H18ClN
InChI InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2
InChIKey BDJQBMFAPBDWMS-UHFFFAOYSA-N
Molecular Weight 259.780 g/mol
SMILES C1(=C(C=CC=C1)Cl)CNCCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927965