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Benzoic acid, 2,3-bis(acetyloxy)-4-[[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
SpectraBase Compound ID 9XXEv0dwPox
InChI InChI=1S/C28H32O11/c1-8-10-18-12-20(34-6)14-21(36-15(3)29)23(18)28(33)39-22-13-19(11-9-2)24(27(32)35-7)26(38-17(5)31)25(22)37-16(4)30/h12-14H,8-11H2,1-7H3
InChIKey DMSGNQWQXOEUJA-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C28H32O11
Exact Mass 544.194462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VdUSJSZ8Bw
Name Benzoic acid, 2,3-bis(acetyloxy)-4-[[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy]-6-propyl-, methyl ester
Alternate Name(s) 2',3'-Diacetoxy-4'-methoxycarbonyl-5'-propylphenyl 2-acetoxy-4-methoxy-6-propylbenzoate Methyl 2,3-bis(acetyloxy)-4-{[2-(acetyloxy)-4-methoxy-6-propylbenzoyl]oxy}-6-propylbenzoate
CAS Registry Number 103142-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O11
InChI InChI=1S/C28H32O11/c1-8-10-18-12-20(34-6)14-21(36-15(3)29)23(18)28(33)39-22-13-19(11-9-2)24(27(32)35-7)26(38-17(5)31)25(22)37-16(4)30/h12-14H,8-11H2,1-7H3
InChIKey DMSGNQWQXOEUJA-UHFFFAOYSA-N
Molecular Weight 544.553 g/mol
SMILES c1(c(c(OC(=O)C)c(cc1CCC)OC(c1c(cc(cc1CCC)OC)OC(=O)C)=O)OC(=O)C)C(=O)OC
SPLASH splash10-0006-0970000000-de73742293bb583a8895
Source of Spectrum B-39-623-28
Wiley ID 1405040