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14,15-Diketo-18-isopimaranoic acid, methyl ester
SpectraBase Compound ID AnSejV6pXoU
InChI InChI=1S/C21H32O4/c1-13(22)19(2)12-9-15-14(17(19)23)7-8-16-20(15,3)10-6-11-21(16,4)18(24)25-5/h14-16H,6-12H2,1-5H3
InChIKey YYXBRUBTTGYGBV-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJBGY4wMCB3
Name 14,15-Diketo-18-isopimaranoic acid, methyl ester
Comments STEREOCHEMISTRY OF B/C RING JUNCTION UNCERTAIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-13(22)19(2)12-9-15-14(17(19)23)7-8-16-20(15,3)10-6-11-21(16,4)18(24)25-5/h14-16H,6-12H2,1-5H3
InChIKey YYXBRUBTTGYGBV-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference A. San Feliciano, M. Medarde, F. Tome, Magn. Res. Chem. 27, 1166 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3