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Benzoic acid, 3-(2-carboxy-5-methoxy-3-methylphenoxy)-2-heptyl-4,6-dihydroxy-
SpectraBase Compound ID 8nHOQjrcwkU
InChI InChI=1S/C23H28O8/c1-4-5-6-7-8-9-15-20(23(28)29)16(24)12-17(25)21(15)31-18-11-14(30-3)10-13(2)19(18)22(26)27/h10-12,24-25H,4-9H2,1-3H3,(H,26,27)(H,28,29)
InChIKey USHKOXXLHSCTLX-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9OsOCz19LB
Name Benzoic acid, 3-(2-carboxy-5-methoxy-3-methylphenoxy)-2-heptyl-4,6-dihydroxy-
CAS Registry Number 74683-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-4-5-6-7-8-9-15-20(23(28)29)16(24)12-17(25)21(15)31-18-11-14(30-3)10-13(2)19(18)22(26)27/h10-12,24-25H,4-9H2,1-3H3,(H,26,27)(H,28,29)
InChIKey USHKOXXLHSCTLX-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES OC(c1c(Oc2c(c(c(cc2O)O)C(=O)O)CCCCCCC)cc(cc1C)OC)=O
SPLASH splash10-00dl-1029000000-3de18d8490b29c3c31fa
Source of Spectrum B-33-1156-0
Synonyms 3-(2-carboxy-5-methoxy-3-methylphenoxy)-2-heptyl-4,6-dihydroxybenzoic acid Congrayanic acid Congrayanic acid of[2-(3'-carboxy-2'-heptyl-4',6'-dihydroxyphenoxy)-4-methoxy-6-methylbenzoic acid]
Wiley ID 1382232