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trans-4-hydroxy-6-methyl-3-(3-methylcyclohexyl)-2-pyrone
SpectraBase Compound ID Fw9N1Owh3nR
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-/m1/s1
InChIKey URQNEOSCCFEYES-PSASIEDQSA-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 8v5pn78JXdx
Name trans-4-hydroxy-6-methyl-3-(3-methylcyclohexyl)-2-pyrone
CAS Registry Number 116504-02-0
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-/m1/s1
InChIKey URQNEOSCCFEYES-PSASIEDQSA-N
Molecular Weight 222.284 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)[C@]1(C[C@](C)(CCC1)[H])[H]
SPLASH splash10-000f-9200000000-1698e6bda08fbe1bac93
Source of Spectrum J-53-5334-0
Synonyms 4-Hydroxy-6-methyl-3-[(1R,3R)-3-methylcyclohexyl]-2H-pyran-2-one
Wiley ID 1222616