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Benzyl echinocarpate
SpectraBase Compound ID DJwzZU9qiCj
InChI InChI=1S/C26H24O9/c1-14-9-19(28)15(2)23(29)21(14)25(31)35-13-18-20(33-3)10-17(11-27)22(24(18)30)26(32)34-12-16-7-5-4-6-8-16/h4-11,28-30H,12-13H2,1-3H3
InChIKey JGGFIAZMTCCMTP-UHFFFAOYSA-N
Mol Weight 480.47 g/mol
Molecular Formula C26H24O9
Exact Mass 480.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcnVWcOluw7
Name Benzyl echinocarpate
Alternate Name(s) benzyl 3-{[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]methyl}-6-formyl-2-hydroxy-4-methoxybenzoate
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Formula C26H24O9
InChI InChI=1S/C26H24O9/c1-14-9-19(28)15(2)23(29)21(14)25(31)35-13-18-20(33-3)10-17(11-27)22(24(18)30)26(32)34-12-16-7-5-4-6-8-16/h4-11,28-30H,12-13H2,1-3H3
InChIKey JGGFIAZMTCCMTP-UHFFFAOYSA-N
Molecular Weight 480.469 g/mol
SMILES Oc1cc(c(c(c1C)O)C(OCc1c(c(c(cc1OC)C=O)C(OCc1ccccc1)=O)O)=O)C
SPLASH splash10-0006-9035200000-d87aa8965d894d2b6530
Source of Spectrum B-48-1175-0
Wiley ID 1395191