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N-Heptyl-3-phenylpropylamine

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

N-Heptyl-3-phenylpropylamine
SpectraBase Compound ID 9MwN8tqJT3i
InChI InChI=1S/C16H27N/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h6-8,11-12,17H,2-5,9-10,13-15H2,1H3
InChIKey VNFWHDGJWOTDJY-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 Lq9ZYvD6pKt
Name N-Heptyl-3-phenylpropylamine
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/c1-2-3-4-5-9-14-17-15-10-13-16-11-7-6-8-12-16/h6-8,11-12,17H,2-5,9-10,13-15H2,1H3
InChIKey VNFWHDGJWOTDJY-UHFFFAOYSA-N
Molecular Weight 233.399 g/mol
SMILES C1(CCCNCCCCCCC)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933523