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(3Aa, 7aa)-5-methoxy-1,2,3,6,7,7a-hexahydro-3ah-inden-6-one-3a-carboxylic acid, methyl ester
SpectraBase Compound ID 2vBcEdJ6yWO
InChI InChI=1S/C12H16O4/c1-15-10-7-12(11(14)16-2)5-3-4-8(12)6-9(10)13/h7-8H,3-6H2,1-2H3
InChIKey JERWBZOKSXONQW-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eNxwyoXgik
Name (3Aa, 7aa)-5-methoxy-1,2,3,6,7,7a-hexahydro-3ah-inden-6-one-3a-carboxylic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-10-7-12(11(14)16-2)5-3-4-8(12)6-9(10)13/h7-8H,3-6H2,1-2H3
InChIKey JERWBZOKSXONQW-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference A.L. Beckwith, D.H. Roberts, J. Am. Chem. Soc. 108, 5893 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3