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3-Methoxygyrophoric acid
SpectraBase Compound ID JQvnYu8VIFD
InChI InChI=1S/C25H22O11/c1-10-5-13(8-15(26)18(10)23(30)31)35-24(32)19-11(2)6-14(9-16(19)27)36-25(33)20-12(3)7-17(28)22(34-4)21(20)29/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey KGONCNHVCVMABT-UHFFFAOYSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VbWxV1gBRF
Name 3-Methoxygyrophoric acid
Alternate Name(s) 4-({4-[(2,4-dihydroxy-3-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl}oxy)-2-hydroxy-6-methylbenzoic acid
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Formula C25H22O11
InChI InChI=1S/C25H22O11/c1-10-5-13(8-15(26)18(10)23(30)31)35-24(32)19-11(2)6-14(9-16(19)27)36-25(33)20-12(3)7-17(28)22(34-4)21(20)29/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey KGONCNHVCVMABT-UHFFFAOYSA-N
Molecular Weight 498.440 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(OC)c(cc1C)O)O)=O
SPLASH splash10-0uk9-0900000000-2e07b1b849435cf00314
Source of Spectrum B-51-1048-15
Wiley ID 745876