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(2Ars, 3sr,8ars,8bsr)-3-bromo-2a,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthene-3-carboxylic acid, methyl ester
SpectraBase Compound ID Gv4YRyJCXfs
InChI InChI=1S/C13H15BrO4/c1-17-12(16)13(14)6-5-7-3-2-4-8-9(7)10(13)11(15)18-8/h5,8-10H,2-4,6H2,1H3
InChIKey LLHJZUIPGTYMNO-UHFFFAOYSA-N
Mol Weight 315.16 g/mol
Molecular Formula C13H15BrO4
Exact Mass 314.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pWfdbEeLXQ
Name (2Ars, 3sr,8ars,8bsr)-3-bromo-2a,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthene-3-carboxylic acid, methyl ester
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Formula C13H15BrO4
InChI InChI=1S/C13H15BrO4/c1-17-12(16)13(14)6-5-7-3-2-4-8-9(7)10(13)11(15)18-8/h5,8-10H,2-4,6H2,1H3
InChIKey LLHJZUIPGTYMNO-UHFFFAOYSA-N
Instrument Name Bruker WH-360
Literature Reference M.J. Batchelor, J.M. Mellor, J. Chem. Soc. Perkin I 985 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3