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(3aS,5aS,6R,6aS,6bR)-6-bromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole-6-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(3aS,5aS,6R,6aS,6bR)-6-bromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole-6-carboxylic acid methyl ester
SpectraBase Compound ID 8sGKX7577N2
InChI InChI=1S/C12H15BrO4/c1-11(2)16-7-5-4-6-8(9(7)17-11)12(6,13)10(14)15-3/h4-9H,1-3H3/t6-,7-,8-,9-,12+/m0/s1
InChIKey SQFHQBJBUZAXRF-LQZQZKBYSA-N
Mol Weight 303.15 g/mol
Molecular Formula C12H15BrO4
Exact Mass 302.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Iwfh21edUV
Name (3aS,5aS,6R,6aS,6bR)-6-bromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole-6-carboxylic acid methyl ester
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Formula C12H15BrO4
InChI InChI=1S/C12H15BrO4/c1-11(2)16-7-5-4-6-8(9(7)17-11)12(6,13)10(14)15-3/h4-9H,1-3H3/t6-,7-,8-,9-,12+/m0/s1
InChIKey SQFHQBJBUZAXRF-LQZQZKBYSA-N
Molecular Weight 303.152 g/mol
SMILES [C@@]1([C@@]2([C@]3(OC(C)(C)O[C@]3(C=C[C@]12[H])[H])[H])[H])(C(=O)OC)Br
SPLASH splash10-014i-0920000000-a44192d28007311fef17
Source of Spectrum KC-1993-1916-11
Synonyms Methyl (3aS,5aS,6R,6aS,6bR)-6-bromanyl-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole-6-carboxylate Methyl (3aS,5aS,6R,6aS,6bR)-6-bromo-2,2-dimethyl-3a,5a,6a,6b-tetrahydrocyclopropa[g][1,3]benzodioxole-6-carboxylate
Wiley ID 778544