For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3R*,3AS*,7aR*)-2,3,3a,7a-tetrahydro-3,3a-dimethyl-1,5(4H)-dioxo-indene-7a-carboxylic acid, methyl ester
SpectraBase Compound ID 2NDxGGWDe1O
InChI InChI=1S/C13H16O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8H,6-7H2,1-3H3
InChIKey IGCIAAADFDDZBT-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2kZBqADE5n
Name (3R*,3AS*,7aR*)-2,3,3a,7a-tetrahydro-3,3a-dimethyl-1,5(4H)-dioxo-indene-7a-carboxylic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8H,6-7H2,1-3H3
InChIKey IGCIAAADFDDZBT-UHFFFAOYSA-N
Instrument Name Bruker AM-360
Literature Reference R. Baker, D.L. Selwood, C.J.Swain, J. Chem. Soc. Perkin I 471 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3