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cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol

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

cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol
SpectraBase Compound ID 7z64iE9tXJj
InChI InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h6-7,9-10,21-23H,2-5,8,11-20H2,1H3/b7-6-,10-9-
InChIKey LJWCDOKHVAQUBC-HZJYTTRNSA-N
Mol Weight 340.5 g/mol
Molecular Formula C21H40O3
Exact Mass 340.297745 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BilHIEPaw1k
Name cis,cis-3-[(9,12-Octadecadienyl)oxy]-1,2-propanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.297745145 u
Formula C21H40O3
InChI InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h6-7,9-10,21-23H,2-5,8,11-20H2,1H3/b7-6-,10-9-
InChIKey LJWCDOKHVAQUBC-HZJYTTRNSA-N
Molecular Weight 340.548 g/mol
SMILES OCC(COCCCCCCCC\C=C/C\C=C/CCCCC)O
Spectrum/Structure Validation Score (Raman) 0.989447