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Benzoic acid, 4-hydroxy-2-methoxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID 6xlMawc81Wj
InChI InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(27)15-21(31-3)24(17)26(30)33-20-14-18(12-10-8-6-2)23(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKey ZACYDWHCNGMWPB-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C26H34O7
Exact Mass 458.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MxSTCIicC
Name Benzoic acid, 4-hydroxy-2-methoxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
Alternate Name(s) 4-O-demethylplanaic acid 4-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-2-methoxy-6-pentylbenzoic acid Anziaic acid, dimethyl ether O-anisic acid, 4-hydroxy-6-pentyl-, 4-hydroxy-6-pentyl-O-anisate
CAS Registry Number 20282-63-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O7
InChI InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(27)15-21(31-3)24(17)26(30)33-20-14-18(12-10-8-6-2)23(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKey ZACYDWHCNGMWPB-UHFFFAOYSA-N
Molecular Weight 458.551 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2OC)O)CCCCC)=O)cc1CCCCC)OC)=O
SPLASH splash10-0019-0930000000-1191eb54dd67e40816f9
Source of Spectrum B-27-1777-7
Wiley ID 1389901