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Cyclohexanone, 2,3-dibromo-4-hydroxy-2,6,6-trimethyl-, [2R-(2.alpha.,3.beta.,4.beta.)]-
SpectraBase Compound ID ZjaZdd9VY6
InChI InChI=1S/C9H14Br2O2/c1-8(2)4-5(12)6(10)9(3,11)7(8)13/h5-6,12H,4H2,1-3H3/t5-,6+,9+/m0/s1
InChIKey RJBUODZQSLPJEJ-CCGCGBOQSA-N
Mol Weight 314.02 g/mol
Molecular Formula C9H14Br2O2
Exact Mass 311.936056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6nDrMSWn3R
Name Cyclohexanone, 2,3-dibromo-4-hydroxy-2,6,6-trimethyl-, [2R-(2.alpha.,3.beta.,4.beta.)]-
Alternate Name(s) (2S,3R,4S)-2,3-dibromo-4-hydroxy-2,6,6-trimethylcyclohexanone
CAS Registry Number 80736-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Br2O2
InChI InChI=1S/C9H14Br2O2/c1-8(2)4-5(12)6(10)9(3,11)7(8)13/h5-6,12H,4H2,1-3H3/t5-,6+,9+/m0/s1
InChIKey RJBUODZQSLPJEJ-CCGCGBOQSA-N
Molecular Weight 314.017 g/mol
SMILES O[C@@]1([C@]([C@](C(C(C)(C)C1)=O)(Br)C)(Br)[H])[H]
SPLASH splash10-000t-9810000000-6b1cf4c93a0dde1faf2f
Source of Spectrum H-64-2458-0
Wiley ID 1312794