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trans-4-Hydroxy-3,3,5-trimethyl-cyclohexanone
SpectraBase Compound ID K1V0EEtzei4
InChI InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6,8,11H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey CZFNEULXUXGILY-POYBYMJQSA-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 A5V3pwV3akn
Name Cyclohexanone, 4-hydroxy-3,3,5-trimethyl-, trans-
Alternate Name(s) (4R,5S)-4-hydroxy-3,3,5-trimethylcyclohexanone trans-2,2,6-trimethyl-4-oxocyclohexanol
CAS Registry Number 121665-76-7
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/h6,8,11H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey CZFNEULXUXGILY-POYBYMJQSA-N
Molecular Weight 156.225 g/mol
SMILES O[C@]1(C(CC(C[C@@]1(C)[H])=O)(C)C)[H]
SPLASH splash10-0006-5900000000-603c5d04b790c58fc145
Source of Spectrum KC-1988-1395-18
Wiley ID 1153834