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(S)-METHOXYPHENYLACETIC-ACID-3,7,11-TRIMETHYL-(1R)-1-(2-PROPENYL)-2E,6E,10-DODECATRIENYLESTER
SpectraBase Compound ID 7wLY1W8bAOP
InChI InChI=1S/C27H38O3/c1-7-13-25(30-27(28)26(29-6)24-18-9-8-10-19-24)20-23(5)17-12-16-22(4)15-11-14-21(2)3/h7-10,14,16,18-20,25-26H,1,11-13,15,17H2,2-6H3/b22-16+,23-20+/t25-,26-/m0/s1
InChIKey LAQCLMISSHTMMN-ZEBNHSFASA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MPIE1PmSdi
Name (S)-METHOXYPHENYLACETIC-ACID-3,7,11-TRIMETHYL-(1R)-1-(2-PROPENYL)-2E,6E,10-DODECATRIENYLESTER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-7-13-25(30-27(28)26(29-6)24-18-9-8-10-19-24)20-23(5)17-12-16-22(4)15-11-14-21(2)3/h7-10,14,16,18-20,25-26H,1,11-13,15,17H2,2-6H3/b22-16+,23-20+/t25-,26-/m0/s1
InChIKey LAQCLMISSHTMMN-ZEBNHSFASA-N
Literature Reference Author Y.DU,D.F.WIEMER
Literature Reference Citation J.ORG.CHEM.,67,5701(2002)
Literature Reference DOI 10.1021/jo0202233
Molecular Weight 410.597 g/mol
Solvent CDCl3
Source File Reference UWSI21692