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(4S,6R)-4-HYDROXY-2,2,6-TRIMETHYL-CYCLOHEXANONE
SpectraBase Compound ID G9qJw0ALaYH
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+/m0/s1
InChIKey CSPVUHYZUZZRGF-NKWVEPMBSA-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 8hnT9UApIkn
Name Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4R-cis)-
CAS Registry Number 60686-81-9
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+/m0/s1
InChIKey CSPVUHYZUZZRGF-NKWVEPMBSA-N
Molecular Weight 156.225 g/mol
SMILES O[C@@]1(C[C@@](C(C(C1)(C)C)=O)(C)[H])[H]
SPLASH splash10-0a59-9000000000-d0308ab2f043d9b0d989
Source of Spectrum I-68-1156-10
Synonyms (+)-(4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexanone (-)-(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexanone (4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexanone (4R,6S)-4-hydroxy-2,2,6-trimethyl-1-cyclohexanone (4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one (4R,6S)-2,2,6-trimethyl-4-oxidanyl-cyclohexan-1-one
Wiley ID 1153842