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2-DEMETHYLMULTIORTHOQUINONE;2-HYDROXY-11,12-DIOXOABIETA-1,3,5(10),6,8,13-HEXAENE
SpectraBase Compound ID AE1ubDPm1lA
InChI InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3
InChIKey OVYJWDSHGYTZSE-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wH8wkAcMr6
Name 2-Demethyl-Multiorthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3
InChIKey OVYJWDSHGYTZSE-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES Oc1c(C)c(c2c(c3C(C(C(C(C)C)=Cc3cc2)=O)=O)c1)C
SPLASH splash10-0uxr-0190000000-4111ed603b40176cdeaf
Source of Spectrum G4-60-1279-4
Synonyms 6-Hydroxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione 6-Hydroxy-2-isopropyl-7,8-dimethyl-phenanthrene-3,4-dione 7,8-Dimethyl-6-oxidanyl-2-propan-2-yl-phenanthrene-3,4-dione
Wiley ID 1607019