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(2aR,3R,4R,5S,6S,6aR)-4-bromo-5-hydroxy-1a,7a-dimethylhexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
SpectraBase Compound ID GXCdhP92cbQ
InChI InChI=1S/C13H15BrO4/c1-12-10(16)6-4-3-5(9(15)8(4)14)7(6)11(17)13(12,2)18-12/h4-9,15H,3H2,1-2H3/t4-,5+,6+,7-,8-,9-,12?,13?/m0/s1
InChIKey JKRAIBPBLGPRQE-PWUOROJHSA-N
Mol Weight 315.16 g/mol
Molecular Formula C13H15BrO4
Exact Mass 314.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLucLuah3Gg
Name (2aR,3R,4R,5S,6S,6aR)-4-bromo-5-hydroxy-1a,7a-dimethylhexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
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Formula C13H15BrO4
InChI InChI=1S/C13H15BrO4/c1-12-10(16)6-4-3-5(9(15)8(4)14)7(6)11(17)13(12,2)18-12/h4-9,15H,3H2,1-2H3/t4-,5+,6+,7-,8-,9-,12?,13?/m0/s1
InChIKey JKRAIBPBLGPRQE-PWUOROJHSA-N
Molecular Weight 315.163 g/mol
SMILES O[C@@]1([C@]([C@]2(C[C@@]1([C@@]1(C(C3(C(C([C@]21[H])=O)(O3)C)C)=O)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-0006-9631000000-909a65b338129607aaa9
Source of Spectrum JX-2015-3-75
Wiley ID 1723675