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cis-7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
SpectraBase Compound ID I4sL8RGEs38
InChI InChI=1S/C9H13BrO2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h4,7-8H,3,5H2,1-2H3/t7-,8+/m1/s1
InChIKey BNLUNMGTGCQECR-SFYZADRCSA-N
Mol Weight 233.1 g/mol
Molecular Formula C9H13BrO2
Exact Mass 232.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c1MLqglf6
Name cis-7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
Alternate Name(s) (3aR,7aR)-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
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Formula C9H13BrO2
InChI InChI=1S/C9H13BrO2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h4,7-8H,3,5H2,1-2H3/t7-,8+/m1/s1
InChIKey BNLUNMGTGCQECR-SFYZADRCSA-N
Molecular Weight 233.105 g/mol
SMILES [C@@]12(OC(C)(C)O[C@@]2(CCC=C1Br)[H])[H]
SPLASH splash10-0aor-1890000000-3d2532c7d1308dc9b47e
Source of Spectrum B-44-949-2
Wiley ID 1233243