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c-4-Acetyl-r-3-t-butyl-t-5-methylcyclohexanone
SpectraBase Compound ID AT0azUcDOjj
InChI InChI=1S/C13H22O2/c1-8-6-10(15)7-11(13(3,4)5)12(8)9(2)14/h8,11-12H,6-7H2,1-5H3/t8-,11-,12-/m0/s1
InChIKey ZRQDRGKUYMLUBS-UWJYBYFXSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YyvVSB8oKc
Name c-4-Acetyl-r-3-t-butyl-t-5-methylcyclohexanone
Alternate Name(s) (3S,4R,5S)-4-acetyl-3-tert-butyl-5-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-8-6-10(15)7-11(13(3,4)5)12(8)9(2)14/h8,11-12H,6-7H2,1-5H3/t8-,11-,12-/m0/s1
InChIKey ZRQDRGKUYMLUBS-UWJYBYFXSA-N
Molecular Weight 210.317 g/mol
SMILES [C@@]1([C@@]([C@@](C)(CC(C1)=O)[H])(C(=O)C)[H])(C(C)(C)C)[H]
SPLASH splash10-0w29-0910000000-6b639cfb35d824cb3388
Source of Spectrum AJ-64-3000-11
Wiley ID 1209651