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endo-(1SR,3SR,4RS)-3-(3'-Bromopropyl)-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID 7BChONorhQT
InChI InChI=1S/C13H19BrO/c1-12-5-7-13(2,8-6-12)11(15)10(12)4-3-9-14/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-,12-,13+/m0/s1
InChIKey CXKZXISBXRLXAT-WCFLWFBJSA-N
Mol Weight 271.2 g/mol
Molecular Formula C13H19BrO
Exact Mass 270.061928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8WfXUkMtr9
Name endo-(1SR,3SR,4RS)-3-(3'-Bromopropyl)-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-one
Alternate Name(s) (R)-3-(3-Bromo-propyl)-1,4-dimethyl-bicyclo[2.2.2]oct-5-en-2-one 3-(3-bromopropyl)-1,4-dimethylbicyclo[2.2.2]oct-5-en-2-one
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Formula C13H19BrO
InChI InChI=1S/C13H19BrO/c1-12-5-7-13(2,8-6-12)11(15)10(12)4-3-9-14/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-,12-,13+/m0/s1
InChIKey CXKZXISBXRLXAT-WCFLWFBJSA-N
Molecular Weight 271.198 g/mol
SMILES C1([C@@]2(C=C[C@]([C@]1(CCCBr)[H])(CC2)C)C)=O
SPLASH splash10-0a4i-3900000000-cf014d5ce323aaf7b275
Source of Spectrum F-49-1972-13
Wiley ID 1273864