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3-Hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-1-butanone
SpectraBase Compound ID KOjewA34Doi
InChI InChI=1S/C13H22O3/c1-8-5-10(15)7-13(3,4)12(8)11(16)6-9(2)14/h9-10,14-15H,5-7H2,1-4H3
InChIKey DHFRAVBLSUHFMP-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrRpLQo45q2
Name 3-Hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-1-butanone
CAS Registry Number 125791-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8-5-10(15)7-13(3,4)12(8)11(16)6-9(2)14/h9-10,14-15H,5-7H2,1-4H3
InChIKey DHFRAVBLSUHFMP-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC1CC(=C(C(CC(O)C)=O)C(C1)(C)C)C
SPLASH splash10-00kf-9600000000-a1cde0bab15d1167592f
Source of Spectrum B-42-2084-25
Synonyms 3-Hydroxy-1-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)butan-1-one 3-Oxidanyl-1-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)butan-1-one
Wiley ID 1227615