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Benzoic acid, 2-(12-heptadecenyl)-6-methoxy-, methyl ester

View entire compound with spectra: 1 NMR

Benzoic acid, 2-(12-heptadecenyl)-6-methoxy-, methyl ester
SpectraBase Compound ID EmYF6BEZvqL
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h7-8,19,21-22H,4-6,9-18,20H2,1-3H3
InChIKey HYCMJIMJXSOFPH-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOfQaachnb6
Name Benzoic acid, 2-(12-heptadecenyl)-6-methoxy-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.313395209 u
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h7-8,19,21-22H,4-6,9-18,20H2,1-3H3
InChIKey HYCMJIMJXSOFPH-UHFFFAOYSA-N
Molecular Weight 402.619 g/mol
SMILES CCCC\C=C\CCCCCCCCCCCC1=C(C(=O)OC)C(OC)=CC=C1