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3-(2',4'-dimethoxy-6'-pentylbenzoyloxy)-2,4-dihydroxy-6-propylbenzoic acid
SpectraBase Compound ID H55xgF7cXxZ
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-11-16(30-3)13-18(31-4)19(15)24(29)32-22-17(25)12-14(9-6-2)20(21(22)26)23(27)28/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey HZWHNZQWBYPDGW-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3HFqE09Crz
Name 3-(2',4'-dimethoxy-6'-pentylbenzoyloxy)-2,4-dihydroxy-6-propylbenzoic acid
Alternate Name(s) 3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2,4-dihydroxy-6-propylbenzoic acid
Comments Removed - expert review - bad spectrum
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Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-11-16(30-3)13-18(31-4)19(15)24(29)32-22-17(25)12-14(9-6-2)20(21(22)26)23(27)28/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey HZWHNZQWBYPDGW-UHFFFAOYSA-N
Molecular Weight 446.496 g/mol
SMILES Oc1c(c(c(C(=O)O)c(c1)CCC)O)OC(c1c(cc(cc1CCCCC)OC)OC)=O
SPLASH splash10-000i-0190000000-573fd830229f260b3e90
Source of Spectrum B-46-301-0
Wiley ID 1386604