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4-Acetyl-8-oxo-7-oxa-bicyclo(4.3.0)nonane-9-carboxylic acid, methyl ester
SpectraBase Compound ID G1gbELF0HKF
InChI InChI=1S/C12H16O5/c1-6(13)7-3-4-8-9(5-7)17-12(15)10(8)11(14)16-2/h7-10H,3-5H2,1-2H3
InChIKey ADHHGWDDYHOQQL-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiFarg92QP4
Name 4-Acetyl-8-oxo-7-oxa-bicyclo(4.3.0)nonane-9-carboxylic acid, methyl ester
CAS Registry Number 65441-20-5
Comments *1S,3R,4S,10?
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-6(13)7-3-4-8-9(5-7)17-12(15)10(8)11(14)16-2/h7-10H,3-5H2,1-2H3
InChIKey ADHHGWDDYHOQQL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference H. Marschall, F. Vogel, Liebigs Ann. Chem. 1557 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3