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(4AR, 6S,7S,9R)-6-bromo-3,4,6,7,8,9,10,11-octahydro-7-hydroxy-4a,9-methano-4ah-benzocyclononene-2,12(5H)-dione

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(4AR, 6S,7S,9R)-6-bromo-3,4,6,7,8,9,10,11-octahydro-7-hydroxy-4a,9-methano-4ah-benzocyclononene-2,12(5H)-dione
SpectraBase Compound ID E4zCqRKGI7A
InChI InChI=1S/C14H17BrO3/c15-11-7-14-4-3-10(16)6-9(14)2-1-8(13(14)18)5-12(11)17/h6,8,11-12,17H,1-5,7H2/t8-,11+,12-,14+/m1/s1
InChIKey DUPHMKUQYNSWLL-HIPMNCMDSA-N
Mol Weight 313.19 g/mol
Molecular Formula C14H17BrO3
Exact Mass 312.036107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4q9iCTtVmPC
Name (4AR, 6S,7S,9R)-6-bromo-3,4,6,7,8,9,10,11-octahydro-7-hydroxy-4a,9-methano-4ah-benzocyclononene-2,12(5H)-dione
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Formula C14H17BrO3
InChI InChI=1S/C14H17BrO3/c15-11-7-14-4-3-10(16)6-9(14)2-1-8(13(14)18)5-12(11)17/h6,8,11-12,17H,1-5,7H2/t8-,11+,12-,14+/m1/s1
InChIKey DUPHMKUQYNSWLL-HIPMNCMDSA-N
Literature Reference L.A. Paquette, T.J. Nitz, R.J.Ross, J. Am. Chem. Soc. 106, 1446 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3