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2-Phenylbutanamide, N-(2-phenylethyl)-N-pentyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Phenylbutanamide, N-(2-phenylethyl)-N-pentyl-
SpectraBase Compound ID DgifqZYlgf7
InChI InChI=1S/C23H31NO/c1-3-5-12-18-24(19-17-20-13-8-6-9-14-20)23(25)22(4-2)21-15-10-7-11-16-21/h6-11,13-16,22H,3-5,12,17-19H2,1-2H3
InChIKey CFXRVDMKGLMIMQ-UHFFFAOYSA-N
Mol Weight 337.51 g/mol
Molecular Formula C23H31NO
Exact Mass 337.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CckySBM2NIo
Name 2-Phenylbutanamide, N-(2-phenylethyl)-N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.240564621 u
Formula C23H31NO
InChI InChI=1S/C23H31NO/c1-3-5-12-18-24(19-17-20-13-8-6-9-14-20)23(25)22(4-2)21-15-10-7-11-16-21/h6-11,13-16,22H,3-5,12,17-19H2,1-2H3
InChIKey CFXRVDMKGLMIMQ-UHFFFAOYSA-N
Molecular Weight 337.507 g/mol
SMILES CCC(C(=O)N(CCCCC)CCC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882228