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oct-3-Enoyl amide, N-allyl-N-hexadecyl-

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

oct-3-Enoyl amide, N-allyl-N-hexadecyl-
SpectraBase Compound ID KZCWVDtuKOz
InChI InChI=1S/C27H51NO/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23-26-28(25-6-3)27(29)24-22-20-10-8-5-2/h6,20,22H,3-5,7-19,21,23-26H2,1-2H3/b22-20+
InChIKey JHQKSSFCAJDZPQ-LSDHQDQOSA-N
Mol Weight 405.7 g/mol
Molecular Formula C27H51NO
Exact Mass 405.397065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5uMupqEckB8
Name oct-3-Enoyl amide, N-allyl-N-hexadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.397065265 u
Formula C27H51NO
InChI InChI=1S/C27H51NO/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23-26-28(25-6-3)27(29)24-22-20-10-8-5-2/h6,20,22H,3-5,7-19,21,23-26H2,1-2H3/b22-20+
InChIKey JHQKSSFCAJDZPQ-LSDHQDQOSA-N
Molecular Weight 405.711 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)CC=C)(=O)C\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926861