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Cyclohexanone, 2,5-dihydroxy-2-methyl-5-(1-methylethyl)-, (2S-trans)-
SpectraBase Compound ID JPYsenoyjGK
InChI InChI=1S/C10H18O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7,12-13H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKey JICXFQXGCLKESB-ZJUUUORDSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9g0x07ZwGMr
Name Cyclohexanone, 2,5-dihydroxy-2-methyl-5-(1-methylethyl)-, (2S-trans)-
CAS Registry Number 80113-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7,12-13H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKey JICXFQXGCLKESB-ZJUUUORDSA-N
Molecular Weight 186.251 g/mol
SMILES O[C@]1(C(C[C@@](CC1)(C(C)C)O)=O)C
SPLASH splash10-0006-9100000000-332ab9ffe876fde51163
Source of Spectrum AH-112-1002-0
Synonyms 1(S),4(S)-Dihydroxy-p-menth-2-one (2R,5S)-2,5-dihydroxy-5-isopropyl-2-methylcyclohexanone 1(R),4(S)-dihydroxy-p-menth-2-one
Wiley ID 1182777