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Sarcosine, N-hexanoyl-, octadecyl ester

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

Sarcosine, N-hexanoyl-, octadecyl ester
SpectraBase Compound ID 5NwktTkgGRM
InChI InChI=1S/C27H53NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-31-27(30)25-28(3)26(29)23-21-7-5-2/h4-25H2,1-3H3
InChIKey OALXXRCTXZBODD-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C27H53NO3
Exact Mass 439.402545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9XMNplkPCdv
Name Sarcosine, N-hexanoyl-, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.402544568 u
Formula C27H53NO3
InChI InChI=1S/C27H53NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-31-27(30)25-28(3)26(29)23-21-7-5-2/h4-25H2,1-3H3
InChIKey OALXXRCTXZBODD-UHFFFAOYSA-N
Molecular Weight 439.725 g/mol
SMILES CCCCCC(N(CC(OCCCCCCCCCCCCCCCCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930135