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Butyramide, N-allyl-N-octadecyl-4-phenyl-

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

Butyramide, N-allyl-N-octadecyl-4-phenyl-
SpectraBase Compound ID EjU6hxREAcR
InChI InChI=1S/C31H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-32(28-4-2)31(33)27-23-26-30-24-20-19-21-25-30/h4,19-21,24-25H,2-3,5-18,22-23,26-29H2,1H3
InChIKey QSQUYLMQGQCZBW-UHFFFAOYSA-N
Mol Weight 455.8 g/mol
Molecular Formula C31H53NO
Exact Mass 455.412715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17UEWjxtbta
Name Butyramide, N-allyl-N-octadecyl-4-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.412715330 u
Formula C31H53NO
InChI InChI=1S/C31H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-32(28-4-2)31(33)27-23-26-30-24-20-19-21-25-30/h4,19-21,24-25H,2-3,5-18,22-23,26-29H2,1H3
InChIKey QSQUYLMQGQCZBW-UHFFFAOYSA-N
Molecular Weight 455.771 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC=C)(=O)CCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918036