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Cyclohexanone, 2,3-dibromo-4-hydroxy-2,6,6-trimethyl-, [2S-(2.alpha.,3.beta.,4.beta.)]-
SpectraBase Compound ID 3DZABrISWpk
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+/m1/s1
InChIKey RJBUODZQSLPJEJ-JHEQGTHGSA-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 LO6wZVbYBaW
Name Cyclohexanone, 2,3-dibromo-4-hydroxy-2,6,6-trimethyl-, [2S-(2.alpha.,3.beta.,4.beta.)]-
CAS Registry Number 80713-69-5
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+/m1/s1
InChIKey RJBUODZQSLPJEJ-JHEQGTHGSA-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-64-2460-0
Synonyms (2R,3S,4R)-2,3-dibromo-4-hydroxy-2,6,6-trimethylcyclohexanone
Wiley ID 1312797