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CYCLOLANCEAEFOLIC-ACID-METHYLESTER;METHYLESTER-OF-8-HYDROXY-2,2'-DIMETHYL-6-CARBOXYCHROMAN-4-ONE
SpectraBase Compound ID 5EhsucAsyL0
InChI InChI=1S/C13H14O5/c1-13(2)6-10(15)8-4-7(12(16)17-3)5-9(14)11(8)18-13/h4-5,14H,6H2,1-3H3
InChIKey JEMYSNUBQLQPHJ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 575js4NsZjW
Name 8-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
Alternate Name(s) 8-Hydroxy-4-keto-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Methyl 2,2-dimethyl-8-oxidanyl-4-oxidanylidene-3H-chromene-6-carboxylate Methyl 8-hydroxy-2,2-dimethyl-4-oxo-3H-chromene-6-carboxylate Methyl 8-hydroxy-2,2-dimethyl-4-oxo-chromane-6-carboxylate
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-13(2)6-10(15)8-4-7(12(16)17-3)5-9(14)11(8)18-13/h4-5,14H,6H2,1-3H3
InChIKey JEMYSNUBQLQPHJ-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1c2c(C(CC(C)(C)O2)=O)cc(C(=O)OC)c1
SPLASH splash10-000l-4950000000-7bcd421621c2695d7211
Source of Spectrum G4-65-64-1
Wiley ID 1609361