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Cyclohexanone, 2-chloro-4-hydroxy-2,6,6-trimethyl-, (2R-trans)-
SpectraBase Compound ID 6ioiPtHibV3
InChI InChI=1S/C9H15ClO2/c1-8(2)4-6(11)5-9(3,10)7(8)12/h6,11H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKey CPPNVAVUXAALJZ-IMTBSYHQSA-N
Mol Weight 190.67 g/mol
Molecular Formula C9H15ClO2
Exact Mass 190.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRDlO6l3jau
Name Cyclohexanone, 2-chloro-4-hydroxy-2,6,6-trimethyl-, (2R-trans)-
CAS Registry Number 80713-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15ClO2
InChI InChI=1S/C9H15ClO2/c1-8(2)4-6(11)5-9(3,10)7(8)12/h6,11H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKey CPPNVAVUXAALJZ-IMTBSYHQSA-N
Molecular Weight 190.670 g/mol
SMILES O[C@]1(CC(C([C@@](C1)(Cl)C)=O)(C)C)[H]
SPLASH splash10-0079-9000000000-6c4e08694e8679d55fd1
Source of Spectrum H-64-2414-0
Synonyms (2R,4S)-2-chloro-4-hydroxy-2,6,6-trimethylcyclohexanone
Wiley ID 1186295