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(3b,4a,5B)-3-([1-Methoxycarbonyl-ethenyl]-oxy)-4-benzoyloxy-5-bromo-1-cyclohexene-1-carboxylic acid, methyl ester
SpectraBase Compound ID HYRAo7ItiCY
InChI InChI=1S/C19H19BrO7/c1-11(17(21)24-2)26-15-10-13(18(22)25-3)9-14(20)16(15)27-19(23)12-7-5-4-6-8-12/h4-8,10,14-16H,1,9H2,2-3H3
InChIKey YTYLOYOJGOXDJV-UHFFFAOYSA-N
Mol Weight 439.26 g/mol
Molecular Formula C19H19BrO7
Exact Mass 438.031416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ljt0B9DV49r
Name (3b,4a,5B)-3-([1-Methoxycarbonyl-ethenyl]-oxy)-4-benzoyloxy-5-bromo-1-cyclohexene-1-carboxylic acid, methyl ester
CAS Registry Number 80631-84-1
Comments reassigned
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Formula C19H19BrO7
InChI InChI=1S/C19H19BrO7/c1-11(17(21)24-2)26-15-10-13(18(22)25-3)9-14(20)16(15)27-19(23)12-7-5-4-6-8-12/h4-8,10,14-16H,1,9H2,2-3H3
InChIKey YTYLOYOJGOXDJV-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.A. McGowan, G.A. Berchtold, J. Am. Chem. Soc. 104, 7036 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3