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Benzoic acid, 3-chloro-6-[3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenoxy]-2-methyl-4-(phenylmethoxy)-
SpectraBase Compound ID FNzdHiO6BjK
InChI InChI=1S/C29H23ClO8/c1-17-25(28(33)34)23(14-24(27(17)30)36-15-18-8-4-2-5-9-18)38-20-12-21(31)26(22(32)13-20)29(35)37-16-19-10-6-3-7-11-19/h2-14,31-32H,15-16H2,1H3,(H,33,34)
InChIKey OZBIJRQEVIGFBF-UHFFFAOYSA-N
Mol Weight 534.95 g/mol
Molecular Formula C29H23ClO8
Exact Mass 534.108145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jnV21pAhHl
Name Benzoic acid, 3-chloro-6-[3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenoxy]-2-methyl-4-(phenylmethoxy)-
CAS Registry Number 131524-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23ClO8
InChI InChI=1S/C29H23ClO8/c1-17-25(28(33)34)23(14-24(27(17)30)36-15-18-8-4-2-5-9-18)38-20-12-21(31)26(22(32)13-20)29(35)37-16-19-10-6-3-7-11-19/h2-14,31-32H,15-16H2,1H3,(H,33,34)
InChIKey OZBIJRQEVIGFBF-UHFFFAOYSA-N
Molecular Weight 534.948 g/mol
SMILES Oc1c(c(cc(c1)Oc1c(c(c(Cl)c(c1)OCc1ccccc1)C)C(=O)O)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9400000000-9a3776c856a5cec0b966
Source of Spectrum B-43-1752-8
Synonyms 4-(benzyloxy)-6-{4-[(benzyloxy)carbonyl]-3,5-dihydroxyphenoxy}-3-chloro-2-methylbenzoic acid 4-Benzyloxy-2-(4'-benzyloxycarbonyl-3',5'-dihydroxyphenoxy)-5-chloro-6-methylbenzoic acid Benzoic acid
Wiley ID 1403816