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THYMOQUINOL
SpectraBase Compound ID 5PzDLCFHLlU
InChI InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
InChIKey OQIOHYHRGZNZCW-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kVFlY7BrGw
Name Thymohydroquinone
CAS Registry Number 2217-60-9
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 166.099379689 u
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
InChIKey OQIOHYHRGZNZCW-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
Number of Peaks 50
RI1 1554
RI2 1231
SMILES Oc1cc(c(cc1C(C)C)O)C
SPLASH splash10-0udi-6900000000-e2ff996052ec7effdee5
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 1,4-Benzenediol, 2-methyl-5-(1-methylethyl)-
Wiley ID LM_FFNSC3_1823