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2,4-Dihydroxy-3-(4'-hydroxy-2'-methoxy-6'-propylbenzoyloxy)-6-propylbenzoic acid
SpectraBase Compound ID 7P7d2YrCZ4d
InChI InChI=1S/C21H24O8/c1-4-6-11-8-13(22)10-15(28-3)16(11)21(27)29-19-14(23)9-12(7-5-2)17(18(19)24)20(25)26/h8-10,22-24H,4-7H2,1-3H3,(H,25,26)
InChIKey QCYWFLSSYDZMGC-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mcYqQdYqc8
Name 2,4-Dihydroxy-3-(4'-hydroxy-2'-methoxy-6'-propylbenzoyloxy)-6-propylbenzoic acid
Alternate Name(s) 2,4-Dihydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-6-propylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-4-6-11-8-13(22)10-15(28-3)16(11)21(27)29-19-14(23)9-12(7-5-2)17(18(19)24)20(25)26/h8-10,22-24H,4-7H2,1-3H3,(H,25,26)
InChIKey QCYWFLSSYDZMGC-UHFFFAOYSA-N
Molecular Weight 404.415 g/mol
SMILES Oc1cc(c(C(Oc2c(c(C(=O)O)c(cc2O)CCC)O)=O)c(c1)CCC)OC
SPLASH splash10-0006-0900000000-fa1bc6d5a1a70ff46172
Source of Spectrum B-46-301-0
Wiley ID 1371207