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n-Octyl(1-phenylethyl)amine

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

n-Octyl(1-phenylethyl)amine
SpectraBase Compound ID ywH8klQ3P7
InChI InChI=1S/C16H27N/c1-3-4-5-6-7-11-14-17-15(2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,3-7,11,14H2,1-2H3
InChIKey LSHWZGDPBDHXBY-UHFFFAOYSA-N
Mol Weight 233.4 g/mol
Molecular Formula C16H27N
Exact Mass 233.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IGG1T7WMSKK
Name N-Octyl(1-phenylethyl)amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.214349873 u
Formula C16H27N
InChI InChI=1S/C16H27N/c1-3-4-5-6-7-11-14-17-15(2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,3-7,11,14H2,1-2H3
InChIKey LSHWZGDPBDHXBY-UHFFFAOYSA-N
Molecular Weight 233.399 g/mol
SMILES C(NCCCCCCCC)(C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952463