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but-2-Enoylamide, 3-methyl-N-(2-phenylethyl)-N-heptyl-

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

but-2-Enoylamide, 3-methyl-N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID 875sHn4EXyg
InChI InChI=1S/C20H31NO/c1-4-5-6-7-11-15-21(20(22)17-18(2)3)16-14-19-12-9-8-10-13-19/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
InChIKey BZRTUZKJPYRYFV-UHFFFAOYSA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4NhYVivOFLa
Name but-2-Enoylamide, 3-methyl-N-(2-phenylethyl)-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.240564621 u
Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-4-5-6-7-11-15-21(20(22)17-18(2)3)16-14-19-12-9-8-10-13-19/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
InChIKey BZRTUZKJPYRYFV-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1)CCN(C(=O)C=C(C)C)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942386