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9-Octadecenoic acid, 13-hydroxy-12-methoxy-, methyl ester

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

9-Octadecenoic acid, 13-hydroxy-12-methoxy-, methyl ester
SpectraBase Compound ID 7j7e5jaYvRK
InChI InChI=1S/C20H38O4/c1-4-5-12-15-18(21)19(23-2)16-13-10-8-6-7-9-11-14-17-20(22)24-3/h10,13,18-19,21H,4-9,11-12,14-17H2,1-3H3/b13-10+
InChIKey UVUNCRYXNVDCAU-JLHYYAGUSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bMcn5lkl3S
Name 9-Octadecenoic acid, 13-hydroxy-12-methoxy-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-4-5-12-15-18(21)19(23-2)16-13-10-8-6-7-9-11-14-17-20(22)24-3/h10,13,18-19,21H,4-9,11-12,14-17H2,1-3H3/b13-10+
InChIKey UVUNCRYXNVDCAU-JLHYYAGUSA-N
Molecular Weight 342.520 g/mol
SMILES C(C(C\C=C\CCCCCCCC(OC)=O)OC)(CCCCC)O