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Pent-4-enoylamide, 2-methyl-N-benzyl-N-tetradecyl-

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

Pent-4-enoylamide, 2-methyl-N-benzyl-N-tetradecyl-
SpectraBase Compound ID AzLjVPKXwrG
InChI InChI=1S/C27H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-19-23-28(27(29)25(3)20-5-2)24-26-21-17-16-18-22-26/h5,16-18,21-22,25H,2,4,6-15,19-20,23-24H2,1,3H3
InChIKey PPKGIABJUAMPPL-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EGsTmRni1VY
Name Pent-4-enoylamide, 2-methyl-N-benzyl-N-tetradecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.350115072 u
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-19-23-28(27(29)25(3)20-5-2)24-26-21-17-16-18-22-26/h5,16-18,21-22,25H,2,4,6-15,19-20,23-24H2,1,3H3
InChIKey PPKGIABJUAMPPL-UHFFFAOYSA-N
Molecular Weight 399.663 g/mol
SMILES C(N(CCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(CC=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891085