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Methyl 8-hydroxyoctadecanoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 4 MS (GC)

Methyl 8-hydroxyoctadecanoate
SpectraBase Compound ID 4BhF38UdnaA
InChI InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey DTTDAPSJWLASGE-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C19H38O3
Exact Mass 314.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1PzFrOtMwx1
Name Methyl-8-hydroxyoctadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.282095081 u
Formula C19H38O3
InChI InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey DTTDAPSJWLASGE-UHFFFAOYSA-N
Molecular Weight 314.510 g/mol
SMILES COC(=O)CCCCCCC(O)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846066