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2-METHOXY-12-METHYLOCTADECA-17-ENE-5-YNOIC-ACID
SpectraBase Compound ID 5DYwpb2H17y
InChI InChI=1S/C20H34O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,18-19H,1,5-8,10,12-17H2,2-3H3,(H,21,22)
InChIKey QVPPXGQQEKCQFT-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUkj1ZJq15C
Name 2-METHOXY-12-METHYLOCTADECA-17-ENE-5-YNOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,18-19H,1,5-8,10,12-17H2,2-3H3,(H,21,22)
InChIKey QVPPXGQQEKCQFT-UHFFFAOYSA-N
Literature Reference Author H.S.LEE,J.R.RHO,C.J.SIM,J.SHIN
Literature Reference Citation J.NAT.PROD.,66,566(2003)
Literature Reference DOI 10.1021/np020345q
Molecular Weight 322.488 g/mol
Solvent CDCl3
Source File Reference UWSI7653