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QTMDDUQIVXCXGA-UHFFFAOYSA-N
SpectraBase Compound ID 9RwegyO3B4F
InChI InChI=1S/C12H12O5/c1-12(2)5-9(14)7-3-6(11(15)16)4-8(13)10(7)17-12/h3-4,13H,5H2,1-2H3,(H,15,16)
InChIKey QTMDDUQIVXCXGA-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwIXlgf6xv0
Name Cyclolanceaefolic acid
Alternate Name(s) 2,2-Dimethyl-8-oxidanyl-4-oxidanylidene-3H-chromene-6-carboxylic acid 8-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid 8-Hydroxy-2,2-dimethyl-4-oxo-3H-chromene-6-carboxylic acid 8-Hydroxy-2,2-dimethyl-4-oxo-chromane-6-carboxylic acid 8-Hydroxy-4-keto-2,2-dimethyl-chroman-6-carboxylic acid
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Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-12(2)5-9(14)7-3-6(11(15)16)4-8(13)10(7)17-12/h3-4,13H,5H2,1-2H3,(H,15,16)
InChIKey QTMDDUQIVXCXGA-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES OC(c1cc2c(c(c1)O)OC(CC2=O)(C)C)=O
SPLASH splash10-008i-0890000000-45b7c772783a410cab30
Source of Spectrum G4-65-64-2
Wiley ID 1609360