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4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one
SpectraBase Compound ID H3dcwQtEqRG
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3
InChIKey DOLFMVAJDYALTI-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6It82yCEzLD
Name 4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one
Alternate Name(s) 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-2-butanone 4-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)butan-2-one
CAS Registry Number 112379-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3
InChIKey DOLFMVAJDYALTI-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC1C(=C(C(CC1)(C)C)CCC(=O)C)C
SPLASH splash10-00kf-4900000000-42c666c1973376a2d343
Source of Spectrum H-71-380-6
Wiley ID 1209616