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(2S,3S,5S)-3,5-Diacetyl-2-methylcyclohexanone
SpectraBase Compound ID 8yKXM4RURHa
InChI InChI=1S/C11H16O3/c1-6-10(8(3)13)4-9(7(2)12)5-11(6)14/h6,9-10H,4-5H2,1-3H3/t6-,9-,10-/m0/s1
InChIKey KKXWNYCJHFGMEB-JUWDTYFHSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Q2XbsQzcHO
Name (2S,3S,5S)-3,5-Diacetyl-2-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6-10(8(3)13)4-9(7(2)12)5-11(6)14/h6,9-10H,4-5H2,1-3H3/t6-,9-,10-/m0/s1
InChIKey KKXWNYCJHFGMEB-JUWDTYFHSA-N
Molecular Weight 196.246 g/mol
SMILES [C@]1(C[C@](C(=O)C)(CC([C@]1(C)[H])=O)[H])(C(=O)C)[H]
SPLASH splash10-06r7-9600000000-cd4ac5b5aedb53f76ccf
Source of Spectrum F-53-97-9
Wiley ID 799916