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(TRANS)-4-HYDROXY-2,2,6-TRIMETHYL-CYCLOHEXANONE
SpectraBase Compound ID 6P8Mqr80m4c
InChI InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey CSPVUHYZUZZRGF-RNFRBKRXSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nRH0eKRkPB
Name (4R,6R)-2,2,6-trimethyl-4-oxidanyl-cyclohexan-1-one
CAS Registry Number 82977-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey CSPVUHYZUZZRGF-RNFRBKRXSA-N
Molecular Weight 156.225 g/mol
SMILES O[C@]1(CC(C([C@@](C1)(C)[H])=O)(C)C)[H]
SPLASH splash10-053r-9000000000-b8eb0ccba70663468db5
Source of Spectrum G4-61-593-4
Synonyms (4R,6R)-4-hydroxy-2,2,6-trimethyl-1-cyclohexanone (4R,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexanone (4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one
Wiley ID 1607192