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cis-4-hydroxy-6-methyl-3-(3-methylcyclohexyl)-2-pyrone
SpectraBase Compound ID DN0oZUMgyjL
InChI InChI=1S/C13H18O3/c1-8-4-3-5-10(6-8)12-11(14)7-9(2)16-13(12)15/h7-8,10,14H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKey URQNEOSCCFEYES-WCBMZHEXSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SdlUhPxdwC
Name cis-4-hydroxy-6-methyl-3-(3-methylcyclohexyl)-2-pyrone
CAS Registry Number 116504-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-4-3-5-10(6-8)12-11(14)7-9(2)16-13(12)15/h7-8,10,14H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKey URQNEOSCCFEYES-WCBMZHEXSA-N
Molecular Weight 222.284 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)[C@]1(C[C@@](C)(CCC1)[H])[H]
SPLASH splash10-00n3-9610000000-a562b06023e464a327c4
Source of Spectrum J-53-5334-0
Synonyms 4-Hydroxy-6-methyl-3-[(1R,3S)-3-methylcyclohexyl]-2H-pyran-2-one
Wiley ID 1222615