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3-Phenylpropan-1-amine 2-methylbenzyl

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

3-Phenylpropan-1-amine 2-methylbenzyl
SpectraBase Compound ID 4cc6MVzcoSM
InChI InChI=1S/C17H21N/c1-15-8-5-6-12-17(15)14-18-13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18H,7,11,13-14H2,1H3
InChIKey ZBJWMPLODYSUDA-UHFFFAOYSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GEPXUYxIb5O
Name 3-Phenylpropan-1-amine 2-methylbenzyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c1-15-8-5-6-12-17(15)14-18-13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18H,7,11,13-14H2,1H3
InChIKey ZBJWMPLODYSUDA-UHFFFAOYSA-N
Molecular Weight 239.362 g/mol
SMILES C=1(C(=CC=CC1)C)CNCCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982202