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oct-3-Enoylamide, N-benzyl-N-dodecyl-

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

oct-3-Enoylamide, N-benzyl-N-dodecyl-
SpectraBase Compound ID DHLYA6bWWvV
InChI InChI=1S/C27H45NO/c1-3-5-7-9-10-11-12-13-15-20-24-28(25-26-21-17-16-18-22-26)27(29)23-19-14-8-6-4-2/h14,16-19,21-22H,3-13,15,20,23-25H2,1-2H3/b19-14+
InChIKey WTPLSDCQHCMMOK-XMHGGMMESA-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 DxKMMraGKDc
Name oct-3-Enoylamide, N-benzyl-N-dodecyl-
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/c1-3-5-7-9-10-11-12-13-15-20-24-28(25-26-21-17-16-18-22-26)27(29)23-19-14-8-6-4-2/h14,16-19,21-22H,3-13,15,20,23-25H2,1-2H3/b19-14+
InChIKey WTPLSDCQHCMMOK-XMHGGMMESA-N
Molecular Weight 399.663 g/mol
SMILES C(N(CCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925691