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4-benzyloxy-2-(3'-hydroxy-2'-methoxy-4'-methoxycarbonyl-5'-methylphenoxy)-6-methylbenzoic acid
SpectraBase Compound ID 2H7HTerIgV7
InChI InChI=1S/C25H24O8/c1-14-10-17(32-13-16-8-6-5-7-9-16)12-18(20(14)24(27)28)33-19-11-15(2)21(25(29)31-4)22(26)23(19)30-3/h5-12,26H,13H2,1-4H3,(H,27,28)
InChIKey YPUIVRPJKVIPPK-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C25H24O8
Exact Mass 452.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZEkVdCtFwf
Name 4-benzyloxy-2-(3'-hydroxy-2'-methoxy-4'-methoxycarbonyl-5'-methylphenoxy)-6-methylbenzoic acid
Alternate Name(s) 4-(benzyloxy)-2-[3-hydroxy-2-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methylbenzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C25H24O8
InChI InChI=1S/C25H24O8/c1-14-10-17(32-13-16-8-6-5-7-9-16)12-18(20(14)24(27)28)33-19-11-15(2)21(25(29)31-4)22(26)23(19)30-3/h5-12,26H,13H2,1-4H3,(H,27,28)
InChIKey YPUIVRPJKVIPPK-UHFFFAOYSA-N
Molecular Weight 452.459 g/mol
SMILES OC(c1c(Oc2cc(c(c(c2OC)O)C(=O)OC)C)cc(cc1C)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-49e2f8836b1fed987eff
Source of Spectrum B-47-703-0
Wiley ID 1388263