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1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
SpectraBase Compound ID JDB3ljLoJfK
InChI InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-6,10,14H,7-8H2,1-4H3
InChIKey JZYGEEGHUZSFEA-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2snZ2e7UFYS
Name 1-Butanone, 3-hydroxy-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Alternate Name(s) 3-Hydroxy-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-1-butanone 3-Hydroxy-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-1-butanone 3-Hydroxy-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one 3-Oxidanyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one
CAS Registry Number 41436-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-6,10,14H,7-8H2,1-4H3
InChIKey JZYGEEGHUZSFEA-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES OC(CC(C1=C(C=CCC1(C)C)C)=O)C
SPLASH splash10-00dm-8900000000-87ce282f854dc629e3c0
Source of Spectrum B-42-2083-24
Wiley ID 1207277