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Benzoic acid, 4-hydroxy-2-[3-hydroxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester
SpectraBase Compound ID r9lc8ifrz3
InChI InChI=1S/C24H22O7/c1-14-9-17(25)11-20(22(14)24(28)30-13-16-7-5-4-6-8-16)31-18-10-15(2)21(19(26)12-18)23(27)29-3/h4-12,25-26H,13H2,1-3H3
InChIKey MQSRYAXIHMNYKF-UHFFFAOYSA-N
Mol Weight 422.43 g/mol
Molecular Formula C24H22O7
Exact Mass 422.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvIVYAfBcol
Name Benzoic acid, 4-hydroxy-2-[3-hydroxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester
CAS Registry Number 111699-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O7
InChI InChI=1S/C24H22O7/c1-14-9-17(25)11-20(22(14)24(28)30-13-16-7-5-4-6-8-16)31-18-10-15(2)21(19(26)12-18)23(27)29-3/h4-12,25-26H,13H2,1-3H3
InChIKey MQSRYAXIHMNYKF-UHFFFAOYSA-N
Molecular Weight 422.433 g/mol
SMILES Oc1cc(Oc2c(c(cc(c2)O)C)C(OCc2ccccc2)=O)cc(c1C(=O)OC)C
SPLASH splash10-0006-9000100000-15ebaeba01508892aee5
Source of Spectrum B-40-190-9
Synonyms Benzyl 4-hydroxy-2-(3'-hydroxy-4'-methoxycarbonyl-5'-methylphenoxy)-6-methylbenzoate benzyl 4-hydroxy-2-[3-hydroxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methylbenzoate
Wiley ID 1378626