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2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-
SpectraBase Compound ID Chs4RsXqnBg
InChI InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
InChIKey QSIMLPCPCXVYDD-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yZ5xycqJLR
Name Diosphenol
CAS Registry Number 490-03-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
InChIKey QSIMLPCPCXVYDD-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
Number of Peaks 50
RI1 1299
RI2 977
SMILES OC1=C(CCC(C1=O)C(C)C)C
SPLASH splash10-056u-7900000000-d87cbf48ae751b0250be
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-
Wiley ID LM_FFNSC3_1583