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3-(2',4'-dimethoxy-6'-propylbenzoyloxy)-2,4-dihydroxy-6-propylbenzoic acid
SpectraBase Compound ID 9ymnFmzGKPw
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-16(29-4)17(12)22(27)30-20-15(23)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey FJXSGDWNOHLRRX-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INOQ4GgSax9
Name 3-(2',4'-dimethoxy-6'-propylbenzoyloxy)-2,4-dihydroxy-6-propylbenzoic acid
Alternate Name(s) 3-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2,4-dihydroxy-6-propylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-16(29-4)17(12)22(27)30-20-15(23)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey FJXSGDWNOHLRRX-UHFFFAOYSA-N
Molecular Weight 418.442 g/mol
SMILES Oc1c(c(c(C(=O)O)c(c1)CCC)O)OC(c1c(cc(cc1CCC)OC)OC)=O
SPLASH splash10-0a4i-0390000000-453723a55bafd6d21063
Source of Spectrum B-46-301-0
Wiley ID 1377149