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Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID CQ8eSmf2bDd
InChI InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-16(29-3)12-19(25)21(15)23(28)30-17-10-14(2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey OYEWMEUDOVKFPP-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OSLBRNbF0n
Name Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 90332-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-16(29-3)12-19(25)21(15)23(28)30-17-10-14(2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey OYEWMEUDOVKFPP-UHFFFAOYSA-N
Molecular Weight 416.470 g/mol
SMILES Oc1cc(cc(c1C(=O)O)C)OC(c1c(cc(cc1CCCCCCC)OC)O)=O
SPLASH splash10-0uki-0910000000-022b00f322b0abff26b1
Source of Spectrum B-40-428-3
Synonyms 4-(2'-Heptyl-4'-methoxy-6'-hydroxybenzoyloxy)-2-hydroxy-6-methylbenzoic acid 4-[(2-heptyl-6-hydroxy-4-methoxybenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid Isosphaeric acid
Wiley ID 1376363