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Methyl (2S,3E)-2-hydroxyoctadec-3-enoate

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

Methyl (2S,3E)-2-hydroxyoctadec-3-enoate
SpectraBase Compound ID GPsTkNzDmal
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h16-18,20H,3-15H2,1-2H3/b17-16+/t18-/m0/s1
InChIKey IOQYRDAQBPDYNV-GVJQPLCZSA-N
Mol Weight 312.5 g/mol
Molecular Formula C19H36O3
Exact Mass 312.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2MJzKOc2Ei1
Name Methyl (2S,3E)-2-hydroxyoctadec-3-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.266445016 u
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h16-18,20H,3-15H2,1-2H3/b17-16+/t18-/m0/s1
InChIKey IOQYRDAQBPDYNV-GVJQPLCZSA-N
SMILES C(=O)([C@](\C=C\CCCCCCCCCCCCCC)(O)[H])OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809839