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Trans-3-[(9-octadecenyl)oxy]-1,2-propanediol

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

Trans-3-[(9-octadecenyl)oxy]-1,2-propanediol
SpectraBase Compound ID C0TSnSjJRi7
InChI InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9+
InChIKey NRWMBHYHFFGEEC-MDZDMXLPSA-N
Mol Weight 342.6 g/mol
Molecular Formula C21H42O3
Exact Mass 342.313395 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8wNtrA7YElH
Name Trans-3-[(9-octadecenyl)oxy]-1,2-propanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.313395209 u
Formula C21H42O3
InChI InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9+
InChIKey NRWMBHYHFFGEEC-MDZDMXLPSA-N
Molecular Weight 342.564 g/mol
SMILES OCC(COCCCCCCCC\C=C\CCCCCCCC)O
Spectrum/Structure Validation Score (Raman) 0.997961