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Thymoquinone
SpectraBase Compound ID 2XpznCVHyYW
InChI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMqpckQCFSh
Name 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
CAS Registry Number 490-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES C=1C(=O)C(C(C)C)=CC(C1C)=O
SPLASH splash10-03kc-9800000000-0b155a2c559bf30fc9a3
Source of Spectrum AD-0-2532-0
Synonyms p-Mentha-3,6-diene-2,5-dione 2-Isopropyl-5-methylbenzo-1,4-quinone 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl- 2-Isopropyl-5-methyl-p-benzoquinone 2-Isopropyl-5-methylbenzoquinone 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 2-Methyl-5-isopropyl-1,4-benzoquinone 2-Methyl-5-isopropyl-p-benzoquinone 2-Methyl-5-propan-2-yl-cyclohexa-2,5-diene-1,4-dione 5-Isopropyl-2-methyl-1,4-benzoquinone 5-Isopropyl-2-methyl-p-benzoquinone p-Cymene-2,5-dione Thymoquinon Thymoquinone 2-Methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione AI3-17758 BRN 1939047 CCRIS 7152 EINECS 207-721-1 NSC 2228
Wiley ID 1422787