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Menthol, 1'-(butyn-3-one-1-yl)-, (1S,2S,5R)-
SpectraBase Compound ID IjsWndAN1Vm
InChI InChI=1S/C14H22O2/c1-10(2)13-6-5-11(3)9-14(13,16)8-7-12(4)15/h10-11,13,16H,5-6,9H2,1-4H3
InChIKey DABQEGBONFPKKP-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iS9Qb9KDQF
Name Menthol, 1'-(butyn-3-one-1-yl)-, (1S,2S,5R)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-10(2)13-6-5-11(3)9-14(13,16)8-7-12(4)15/h10-11,13,16H,5-6,9H2,1-4H3
InChIKey DABQEGBONFPKKP-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES OC1(C(CCC(C)C1)C(C)C)C#CC(=O)C
SPLASH splash10-0006-9400000000-3a21e2adb15aed607dd0
Synonyms 4-(1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)but-3-yn-2-one Menthol, 1'-(butyn-3-one-1-yl)-, (1R,2S,5R)- 4-(1-Hydroxy-2-isopropyl-5-methylcyclohexyl)-3-butyn-2-one 4-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)-3-butyn-2-one 4-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)but-3-yn-2-one 4-(5-Methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)but-3-yn-2-one
Wiley ID 1497666