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2(1H)-Naphthalenone, 3-bromo-6-(1,1-dimethylethyl)octahydro-, (3.alpha.,4a.alpha.,6.beta.,8a.alpha.)-
SpectraBase Compound ID JJczPDcwc1H
InChI InChI=1S/C14H23BrO/c1-14(2,3)11-5-4-9-8-13(16)12(15)7-10(9)6-11/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey DMQMWLCTRXNUHP-WHOHXGKFSA-N
Mol Weight 287.24 g/mol
Molecular Formula C14H23BrO
Exact Mass 286.093228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Bi6inE3qUp
Name 2(1H)-Naphthalenone, 3-bromo-6-(1,1-dimethylethyl)octahydro-, (3.alpha.,4a.alpha.,6.beta.,8a.alpha.)-
Alternate Name(s) (3R,4aR,6S,8aS)-3-bromo-6-tert-butyloctahydro-2(1H)-naphthalenone 3.beta.-bromo-6.alpha.-t-butyl-3,4,4a.beta.,5,6,7,8,8a.beta.-octahydronaphthalen-2(1H)-one
CAS Registry Number 69007-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23BrO
InChI InChI=1S/C14H23BrO/c1-14(2,3)11-5-4-9-8-13(16)12(15)7-10(9)6-11/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey DMQMWLCTRXNUHP-WHOHXGKFSA-N
Molecular Weight 287.241 g/mol
SMILES C1(C[C@@]2(CC[C@@](C[C@@]2(C[C@]1(Br)[H])[H])(C(C)(C)C)[H])[H])=O
SPLASH splash10-0a4i-9210000000-7175608cf333bf0d7cae
Source of Spectrum B-31-830-0
Wiley ID 1289568