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Benzoic acid, 2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methyl-, 2-carboxy-5-methoxy-3-methylphenyl ester
SpectraBase Compound ID 5U14wSPVsqh
InChI InChI=1S/C28H26O11/c1-14-9-18(34-4)12-22(24(14)26(30)31)39-28(33)25-15(2)10-19(35-5)13-23(25)38-17-7-8-21(37-16(3)29)20(11-17)27(32)36-6/h7-13H,1-6H3,(H,30,31)
InChIKey PPWOMJBVPUATDO-UHFFFAOYSA-N
Mol Weight 538.51 g/mol
Molecular Formula C28H26O11
Exact Mass 538.147512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjdOwjdhaDm
Name Benzoic acid, 2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methyl-, 2-carboxy-5-methoxy-3-methylphenyl ester
CAS Registry Number 113487-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O11
InChI InChI=1S/C28H26O11/c1-14-9-18(34-4)12-22(24(14)26(30)31)39-28(33)25-15(2)10-19(35-5)13-23(25)38-17-7-8-21(37-16(3)29)20(11-17)27(32)36-6/h7-13H,1-6H3,(H,30,31)
InChIKey PPWOMJBVPUATDO-UHFFFAOYSA-N
Molecular Weight 538.505 g/mol
SMILES OC(c1c(OC(c2c(cc(cc2C)OC)Oc2cc(C(=O)OC)c(cc2)OC(=O)C)=O)cc(cc1C)OC)=O
SPLASH splash10-000i-0090000000-9a4e39ce871f67c7932f
Source of Spectrum B-40-1460-23
Synonyms 2-({2-[4-(acetyloxy)-3-(methoxycarbonyl)phenoxy]-4-methoxy-6-methylbenzoyl}oxy)-4-methoxy-6-methylbenzoic acid 2-[2'-(4''-acetoxy-3''-methoxycarbonylphenyoxy)-4'-methoxy-6'-methylbenzoyloxy]-4-methoxy-6-methylbenzoic acid
Wiley ID 1404309