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S-(4-METHOXYPHENYL)-(9Z,12R)-12-HYDROXYOCTADEC-9-ENE-THIOATE
SpectraBase Compound ID 7wV11e4twyB
InChI InChI=1S/C25H40O3S/c1-3-4-5-12-15-22(26)16-13-10-8-6-7-9-11-14-17-25(27)29-24-20-18-23(28-2)19-21-24/h10,13,18-22,26H,3-9,11-12,14-17H2,1-2H3/b13-10-/t22-/m0/s1
InChIKey JSBWRTBTWPUZFR-JQCPSUHGSA-N
Mol Weight 420.7 g/mol
Molecular Formula C25H40O3S
Exact Mass 420.269816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLzb0dXlx38
Name S-(4-METHOXYPHENYL)-(9Z,12R)-12-HYDROXYOCTADEC-9-ENE-THIOATE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O3S
InChI InChI=1S/C25H40O3S/c1-3-4-5-12-15-22(26)16-13-10-8-6-7-9-11-14-17-25(27)29-24-20-18-23(28-2)19-21-24/h10,13,18-22,26H,3-9,11-12,14-17H2,1-2H3/b13-10-/t22-/m0/s1
InChIKey JSBWRTBTWPUZFR-JQCPSUHGSA-N
Literature Reference Author S.GANGAL,S.SHARMA,A.RAUF
Literature Reference Citation RASAYAN.J.CHEM.,2,682(2009)
Molecular Weight 420.651 g/mol
Solvent CDCl3
Source File Reference UWLU78780