For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzoic acid, 3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)-, 3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenyl ester
SpectraBase Compound ID KmMzK6YnN21
InChI InChI=1S/C29H23ClO8/c1-17-25(23(33)14-24(27(17)30)36-15-18-8-4-2-5-9-18)29(35)38-20-12-21(31)26(22(32)13-20)28(34)37-16-19-10-6-3-7-11-19/h2-14,31-33H,15-16H2,1H3
InChIKey XECLZJWJRDLDQK-UHFFFAOYSA-N
Mol Weight 534.95 g/mol
Molecular Formula C29H23ClO8
Exact Mass 534.108145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Erg1MIiotS8
Name Benzoic acid, 3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)-, 3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenyl ester
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3,5-dihydroxyphenyl 4-(benzyloxy)-3-chloro-6-hydroxy-2-methylbenzoate Benzyl 4-(4'-benzyloxy-3'-chloro-6'-hydroxy-2'-methylbenzoyloxy)-2,6-dihydroxybenzoate
CAS Registry Number 131524-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23ClO8
InChI InChI=1S/C29H23ClO8/c1-17-25(23(33)14-24(27(17)30)36-15-18-8-4-2-5-9-18)29(35)38-20-12-21(31)26(22(32)13-20)28(34)37-16-19-10-6-3-7-11-19/h2-14,31-33H,15-16H2,1H3
InChIKey XECLZJWJRDLDQK-UHFFFAOYSA-N
Molecular Weight 534.948 g/mol
SMILES Oc1c(c(cc(c1)OC(c1c(c(Cl)c(cc1O)OCc1ccccc1)C)=O)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-ca18327d39d5ea2fe246
Source of Spectrum B-43-1752-6
Wiley ID 1403815