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(3aS,4R,5S,7aS)-7-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
SpectraBase Compound ID GzxHLkhCjHO
InChI InChI=1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKey UGCLVZMHFRQWFL-OSMVPFSASA-N
Mol Weight 265.1 g/mol
Molecular Formula C9H13BrO4
Exact Mass 263.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YXAPLq4P0A
Name (3aS,4R,5S,7aS)-7-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Alternate Name(s) (3aS,4R,5S,7aS)-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
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Formula C9H13BrO4
InChI InChI=1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKey UGCLVZMHFRQWFL-OSMVPFSASA-N
Molecular Weight 265.103 g/mol
SMILES O[C@@]1([C@](C=C([C@]2(OC(O[C@@]12[H])(C)C)[H])Br)(O)[H])[H]
SPLASH splash10-0udj-0490000000-4255e7009b6b195ff4bb
Source of Spectrum J-66-6771-6
Wiley ID 1535957