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1,5-Methanopentalene-5(1H)-carboxaldehyde, 4-bromohexahydro-4-methyl-7-methylene-6-(1-methylethyl)-, (1.alpha.,3a.beta.,4.beta.,5.beta.,6.alpha.,6a.beta.)-(.+-.)-
SpectraBase Compound ID 8TIuvp9XesZ
InChI InChI=1S/C15H21BrO/c1-8(2)13-12-10-5-6-11(12)14(4,16)15(13,7-17)9(10)3/h7-8,10-13H,3,5-6H2,1-2,4H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKey WWKAETCHYUOBNN-OJVARPOJSA-N
Mol Weight 297.24 g/mol
Molecular Formula C15H21BrO
Exact Mass 296.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGVX2KMdyJz
Name 1,5-Methanopentalene-5(1H)-carboxaldehyde, 4-bromohexahydro-4-methyl-7-methylene-6-(1-methylethyl)-, (1.alpha.,3a.beta.,4.beta.,5.beta.,6.alpha.,6a.beta.)-(.+-.)-
CAS Registry Number 119124-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO
InChI InChI=1S/C15H21BrO/c1-8(2)13-12-10-5-6-11(12)14(4,16)15(13,7-17)9(10)3/h7-8,10-13H,3,5-6H2,1-2,4H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKey WWKAETCHYUOBNN-OJVARPOJSA-N
Molecular Weight 297.236 g/mol
SMILES [C@@]12(C([C@]3(CC[C@]([C@]2(Br)C)([H])[C@@]3([C@]1(C(C)C)[H])[H])[H])=C)C=O
SPLASH splash10-0006-9220000000-bccff7fd5628f823102a
Source of Spectrum H-71-805-44
Synonyms (1R,2R,3R,6S,7S,8R)-2-bromo-8-isopropyl-2-methyl-9-methylenetricyclo[4.2.1.0(3,7)]nonane-1-carbaldehyde (1RS,2SR,3RS,6SR,7RS,8SR)-2-bromo-8-isopropyl-2-methyl-9-methylidenetricyclo[4.2.1.0(3,7)]nonan-1-carbaldehyde
Wiley ID 1298886