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Hexadecanoic acid, 3-hydroxy-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 9 MS (GC)

Hexadecanoic acid, 3-hydroxy-, methyl ester
SpectraBase Compound ID CdT8BPacmnP
InChI InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
InChIKey YBTWUESFQWFDMR-UHFFFAOYSA-N
Mol Weight 286.5 g/mol
Molecular Formula C17H34O3
Exact Mass 286.250795 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 28rArccA4KM
Name 3-Hydroxyhexadecanoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.250794952 u
Formula C17H34O3
InChI InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
InChIKey YBTWUESFQWFDMR-UHFFFAOYSA-N
Molecular Weight 286.456 g/mol
SMILES OC(CCCCCCCCCCCCC)CC(OC)=O
Spectrum/Structure Validation Score (Raman) 0.993654