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9-Bromo-3,3,(7R)-trimethyltricyclo[5.4.0.0(2,9)]undecan-8-one
SpectraBase Compound ID 4qrOQUR7kHA
InChI InChI=1S/C14H21BrO/c1-12(2)6-4-7-13(3)9-5-8-14(15,10(9)12)11(13)16/h9-10H,4-8H2,1-3H3/t9-,10+,13+,14-/m1/s1
InChIKey SQONVOGAYCCFFB-XXSPCDMZSA-N
Mol Weight 285.23 g/mol
Molecular Formula C14H21BrO
Exact Mass 284.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pXDD5KpZed
Name 9-Bromo-3,3,(7R)-trimethyltricyclo[5.4.0.0(2,9)]undecan-8-one
Appearance White crystals
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Formula C14H21BrO
InChI InChI=1S/C14H21BrO/c1-12(2)6-4-7-13(3)9-5-8-14(15,10(9)12)11(13)16/h9-10H,4-8H2,1-3H3/t9-,10+,13+,14-/m1/s1
InChIKey SQONVOGAYCCFFB-XXSPCDMZSA-N
Instrument Name Hewlet Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np0205607
Molecular Weight 285.225 g/mol
SMILES C1[C@]2([C@]3([C@@](C1)([C@](C2=O)(C)CCCC3(C)C)[H])[H])Br
SPLASH splash10-052o-9210000000-604d32dcf7a83ca9a9b5
Source of Spectrum G4-66-522-9
Wiley ID 1881376