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(E)-2-Benzylidene-N-isobutyl-4-phenylbutanamide

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

(E)-2-Benzylidene-N-isobutyl-4-phenylbutanamide
SpectraBase Compound ID 1FElGayL0Z9
InChI InChI=1S/C21H25NO/c1-17(2)16-22-21(23)20(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,22,23)/b20-15+
InChIKey WYFZQPMRFDFEEJ-HMMYKYKNSA-N
Mol Weight 307.44 g/mol
Molecular Formula C21H25NO
Exact Mass 307.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID d6t8E8b90n
Name (E)-2-Benzylidene-N-isobutyl-4-phenylbutanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.193614428 u
Formula C21H25NO
InChI InChI=1S/C21H25NO/c1-17(2)16-22-21(23)20(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,22,23)/b20-15+
InChIKey WYFZQPMRFDFEEJ-HMMYKYKNSA-N
SMILES C(\C(CCC1=CC=CC=C1)=C\C=1C=CC=CC1)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907567