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Benzoic acid, 2,4-dimethoxy-6-propyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
SpectraBase Compound ID AvWdHMjhCpN
InChI InChI=1S/C24H30O7/c1-5-7-8-10-16-12-18(13-19(25)21(16)23(26)27)31-24(28)22-15(9-6-2)11-17(29-3)14-20(22)30-4/h11-14,25H,5-10H2,1-4H3,(H,26,27)
InChIKey XGAAYQDWRSMKNI-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWOsFV0acQ5
Name Benzoic acid, 2,4-dimethoxy-6-propyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
Alternate Name(s) 4-(2',4'-Dimethoxy-6'-propylbenzoyloxy)-2-hydroxy-6-pentylbenzoic acid 4-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid
CAS Registry Number 104307-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-5-7-8-10-16-12-18(13-19(25)21(16)23(26)27)31-24(28)22-15(9-6-2)11-17(29-3)14-20(22)30-4/h11-14,25H,5-10H2,1-4H3,(H,26,27)
InChIKey XGAAYQDWRSMKNI-UHFFFAOYSA-N
Molecular Weight 430.497 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCC)OC)OC)=O
SPLASH splash10-0a4i-0090000000-43fbfabb7f4d6689765d
Source of Spectrum B-38-1869-4
Wiley ID 1381551