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3a,7-Methano-3aH-cyclopentacycloocten-5(4H)-one, 4,6-dibromooctahydro-, (3a.alpha.,4.beta.,6.beta.,7.alpha.,9a.alpha.)-
SpectraBase Compound ID 2TMLVCz6IF6
InChI InChI=1S/C12H16Br2O/c13-9-7-3-4-8-2-1-5-12(8,6-7)11(14)10(9)15/h7-9,11H,1-6H2/t7-,8-,9+,11-,12+/m0/s1
InChIKey PQVZJCSEBIFOSC-DDLVRULKSA-N
Mol Weight 336.07 g/mol
Molecular Formula C12H16Br2O
Exact Mass 333.956791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p6ZwJLjqIZ
Name 3a,7-Methano-3aH-cyclopentacycloocten-5(4H)-one, 4,6-dibromooctahydro-, (3a.alpha.,4.beta.,6.beta.,7.alpha.,9a.alpha.)-
CAS Registry Number 63072-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16Br2O
InChI InChI=1S/C12H16Br2O/c13-9-7-3-4-8-2-1-5-12(8,6-7)11(14)10(9)15/h7-9,11H,1-6H2/t7-,8-,9+,11-,12+/m0/s1
InChIKey PQVZJCSEBIFOSC-DDLVRULKSA-N
Molecular Weight 336.067 g/mol
SMILES C1([C@@]([C@@]23[C@](CCC3)([H])CC[C@@](C2)([C@]1(Br)[H])[H])(Br)[H])=O
SPLASH splash10-00di-3921000000-92356fae8145971f4ae7
Source of Spectrum KC-1977-414-0
Synonyms (1R,5S,8S,9R,11R)-9,11-dibromotricyclo[6.3.1.0(1,5)]dodecan-10-one 9,11-Dibromotricyclo(6.3.1.0**1,5)dodecan-10-one
Wiley ID 1330563