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N-Benzyl-N-butyl-4-propylbenzamide

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

N-Benzyl-N-butyl-4-propylbenzamide
SpectraBase Compound ID 9BmTidlpJrA
InChI InChI=1S/C21H27NO/c1-3-5-16-22(17-19-10-7-6-8-11-19)21(23)20-14-12-18(9-4-2)13-15-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3
InChIKey VELGAFAOJNWQAZ-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 996tl6fpKsm
Name N-Benzyl-N-butyl-4-propylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-3-5-16-22(17-19-10-7-6-8-11-19)21(23)20-14-12-18(9-4-2)13-15-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3
InChIKey VELGAFAOJNWQAZ-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES C(C=1C=CC(=CC1)CCC)(N(CC1=CC=CC=C1)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945599