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

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

2-Phenylbutanamide, N-(2-phenylethyl)-N-(2-heptyl)-
SpectraBase Compound ID 2gYexBgffSH
InChI InChI=1S/C25H35NO/c1-4-6-9-14-21(3)26(20-19-22-15-10-7-11-16-22)25(27)24(5-2)23-17-12-8-13-18-23/h7-8,10-13,15-18,21,24H,4-6,9,14,19-20H2,1-3H3
InChIKey PPDBPYVTKXPXIP-UHFFFAOYSA-N
Mol Weight 365.6 g/mol
Molecular Formula C25H35NO
Exact Mass 365.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hemkj99d82O
Name 2-Phenylbutanamide, N-(2-phenylethyl)-N-(2-heptyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.271864750 u
Formula C25H35NO
InChI InChI=1S/C25H35NO/c1-4-6-9-14-21(3)26(20-19-22-15-10-7-11-16-22)25(27)24(5-2)23-17-12-8-13-18-23/h7-8,10-13,15-18,21,24H,4-6,9,14,19-20H2,1-3H3
InChIKey PPDBPYVTKXPXIP-UHFFFAOYSA-N
Molecular Weight 365.561 g/mol
SMILES CCC(C(=O)N(C(CCCCC)C)CCC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967646