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1(2H)-Naphthalenone, 2,8a-dibromooctahydro-4a-methyl-, (2.alpha.,4a.beta.,8a.beta.)-
SpectraBase Compound ID 80cjnaSMmct
InChI InChI=1S/C11H16Br2O/c1-10-5-2-3-6-11(10,13)9(14)8(12)4-7-10/h8H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKey BNZISBGSQKKEBX-MIMYLULJSA-N
Mol Weight 324.06 g/mol
Molecular Formula C11H16Br2O
Exact Mass 321.956791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tmVtY1TcTd
Name 1(2H)-Naphthalenone, 2,8a-dibromooctahydro-4a-methyl-, (2.alpha.,4a.beta.,8a.beta.)-
Alternate Name(s) (2R,4aS,8aR)-2,8a-dibromo-4a-methyloctahydro-1(2H)-naphthalenone 2.alpha.,8a-dibromo-4a-cis-octahydronaphthalen-1(2H)-one
CAS Registry Number 116990-76-2
Comments Less than 3 mono-isotopic peaks
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Formula C11H16Br2O
InChI InChI=1S/C11H16Br2O/c1-10-5-2-3-6-11(10,13)9(14)8(12)4-7-10/h8H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKey BNZISBGSQKKEBX-MIMYLULJSA-N
Molecular Weight 324.056 g/mol
SMILES [C@@]12(C([C@](Br)(CC[C@]2(C)CCCC1)[H])=O)Br
SPLASH splash10-0002-0091000000-f1abb60b48d010675eb2
Source of Spectrum I-66-33-26
Wiley ID 1321247