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N-(2-Phenylethyl)-9,10-epoxyoctadecanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(2-Phenylethyl)-9,10-epoxyoctadecanamide
SpectraBase Compound ID 1xu7M1jrs9s
InChI InChI=1S/C26H43NO2/c1-2-3-4-5-7-13-18-24-25(29-24)19-14-8-6-9-15-20-26(28)27-22-21-23-16-11-10-12-17-23/h10-12,16-17,24-25H,2-9,13-15,18-22H2,1H3,(H,27,28)
InChIKey ATLDZKFOZCHNDM-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8QMsNvQUovI
Name N-(2-Phenylethyl)-9,10-epoxyoctadecanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.329379627 u
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/c1-2-3-4-5-7-13-18-24-25(29-24)19-14-8-6-9-15-20-26(28)27-22-21-23-16-11-10-12-17-23/h10-12,16-17,24-25H,2-9,13-15,18-22H2,1H3,(H,27,28)
InChIKey ATLDZKFOZCHNDM-UHFFFAOYSA-N
Molecular Weight 401.635 g/mol
SMILES C(CCCCCCCC1C(CCCCCCCC)O1)(=O)NCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939151