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3-Oxo-cativinic acid, methyl ester

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3-Oxo-cativinic acid, methyl ester
SpectraBase Compound ID CjCzyChkGMr
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h8,14,16-17H,7,9-13H2,1-6H3
InChIKey WONSMFXLYXZLQI-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwUkAwFQJjt
Name 3-Oxo-cativinic acid, methyl ester
CAS Registry Number 82178-28-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h8,14,16-17H,7,9-13H2,1-6H3
InChIKey WONSMFXLYXZLQI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F. Bohlmann, C. Zdero, Chem. Ber. 109, 1436 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3