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N,N-Dipentyl-4-methylbenzylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N,N-Dipentyl-4-methylbenzylamine
SpectraBase Compound ID Bx75137Gbdk
InChI InChI=1S/C18H31N/c1-4-6-8-14-19(15-9-7-5-2)16-18-12-10-17(3)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKey PYHPISMRSKUYLX-UHFFFAOYSA-N
Mol Weight 261.45 g/mol
Molecular Formula C18H31N
Exact Mass 261.24565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HZAnq7Uf3iq
Name N,N-Dipentyl-4-methylbenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.245650002 u
Formula C18H31N
InChI InChI=1S/C18H31N/c1-4-6-8-14-19(15-9-7-5-2)16-18-12-10-17(3)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKey PYHPISMRSKUYLX-UHFFFAOYSA-N
Molecular Weight 261.453 g/mol
SMILES C(N(CCCCC)CCCCC)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947821