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3-Pentanone, 1-cyclohexyl-2-methyl-, (S)-
SpectraBase Compound ID 4SDuifdK3wh
InChI InChI=1S/C12H22O/c1-4-11(13)12(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKey RYHSPPHFSPSTJP-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdivTDbUixM
Name 3-Pentanone, 1-cyclohexyl-2-methyl-, (S)-
CAS Registry Number 91658-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-4-11(13)12(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKey RYHSPPHFSPSTJP-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C(C(=O)CC)(C1CCCCC1)(C)C
SPLASH splash10-0a4r-9100000000-a62ed3af71b75b708885
Source of Spectrum F-40-1357-0
Synonyms (+)-(S)-4-Methyl-4-cyclohexyl-pentane-3-one 2-cyclohexyl-2-methyl-3-pentanone
Wiley ID 1179106