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LANCEAEFOLIC-ACID-METHYLESTER;METHYLESTER-OF-4,5-DIHYDROXY-3-(3-METHYL-2-BUTENOYL)-BENZOIC-ACID
SpectraBase Compound ID 7WMau98FiDE
InChI InChI=1S/C13H14O5/c1-7(2)4-10(14)9-5-8(13(17)18-3)6-11(15)12(9)16/h4-6,15-16H,1-3H3
InChIKey KPPDNWSCOKXHFG-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 3CyNuRxyiAx
Name Lanceaefolic acid - methyl ester
Alternate Name(s) Methyl 4,5-dihydroxy-3-[3'-methyl-2'-butanoyl]-benzene-1-carboxylate 3,4-Dihydroxy-5-(3-methyl-1-oxobut-2-enyl)benzoic acid methyl ester Methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate Methyl 3-(3-methylbut-2-enoyl)-4,5-bis(oxidanyl)benzoate
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7(2)4-10(14)9-5-8(13(17)18-3)6-11(15)12(9)16/h4-6,15-16H,1-3H3
InChIKey KPPDNWSCOKXHFG-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1cc(cc(c1O)C(C=C(C)C)=O)C(=O)OC
SPLASH splash10-000i-2690000000-ba9c3887137aa3d1db7f
Source of Spectrum G4-65-64-3
Wiley ID 1609359