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(1'S,3'R,4'S,6'R)-2-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]acetic acid
SpectraBase Compound ID DUrkBjyrjOm
InChI InChI=1S/C12H19BrO3/c1-11(2)7-4-9(13)12(3,5-8(7)11)16-6-10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9+,12-/m1/s1
InChIKey SJBABLJTGMGPDN-JDVQERKKSA-N
Mol Weight 291.19 g/mol
Molecular Formula C12H19BrO3
Exact Mass 290.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjJMG3Ca88e
Name (1'S,3'R,4'S,6'R)-2-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]acetic acid
Alternate Name(s) (1'S,3'R,4'R,6'R)-2-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]acetic acid {[(1S,3R,4S,6R)-4-bromo-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl]oxy}acetic acid
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Formula C12H19BrO3
InChI InChI=1S/C12H19BrO3/c1-11(2)7-4-9(13)12(3,5-8(7)11)16-6-10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9+,12-/m1/s1
InChIKey SJBABLJTGMGPDN-JDVQERKKSA-N
Molecular Weight 291.185 g/mol
SMILES OC(CO[C@@]1(C[C@]2([C@](C[C@@]1(Br)[H])([H])C2(C)C)[H])C)=O
SPLASH splash10-0076-9400000000-1c0c19debfc5ded3ba1e
Source of Spectrum QC-11-1481-3
Wiley ID 859794