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2-Benzyl-N-isobutyl-4-phenylbutanamide

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

2-Benzyl-N-isobutyl-4-phenylbutanamide
SpectraBase Compound ID 9gTqo2IXm0s
InChI InChI=1S/C21H27NO/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/h3-12,17,20H,13-16H2,1-2H3,(H,22,23)
InChIKey UWZBFFCSLGITHY-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 IvKc1z1s7Fz
Name 2-Benzyl-N-isobutyl-4-phenylbutanamide
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/c1-17(2)16-22-21(23)20(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3,(H,22,23)
InChIKey UWZBFFCSLGITHY-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES C(C(CCC1=CC=CC=C1)CC=1C=CC=CC1)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939158