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Benzoic acid, 3-chloro-2,5-dimethyl-4,6-bis(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID F6kG54ranhb
InChI InChI=1S/C34H33ClO7/c1-19-20(2)30(22(4)29(36)26(19)33(37)39-6)42-34(38)27-21(3)28(35)32(41-18-25-15-11-8-12-16-25)23(5)31(27)40-17-24-13-9-7-10-14-24/h7-16,36H,17-18H2,1-6H3
InChIKey OASLNZYNQCFQCU-UHFFFAOYSA-N
Mol Weight 589.1 g/mol
Molecular Formula C34H33ClO7
Exact Mass 588.191481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoeJZQxD4AI
Name Benzoic acid, 3-chloro-2,5-dimethyl-4,6-bis(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
Alternate Name(s) 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 2,4-bis(benzyloxy)-5-chloro-3,6-dimethylbenzoate Methyl 2,4-di-O-benzyleriodermate Methyl 4-(5'-chloro-2,4-dibenzyloxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
CAS Registry Number 111258-36-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H33ClO7
InChI InChI=1S/C34H33ClO7/c1-19-20(2)30(22(4)29(36)26(19)33(37)39-6)42-34(38)27-21(3)28(35)32(41-18-25-15-11-8-12-16-25)23(5)31(27)40-17-24-13-9-7-10-14-24/h7-16,36H,17-18H2,1-6H3
InChIKey OASLNZYNQCFQCU-UHFFFAOYSA-N
Molecular Weight 589.084 g/mol
SMILES Oc1c(c(OC(c2c(c(C)c(c(c2C)Cl)OCc2ccccc2)OCc2ccccc2)=O)c(c(c1C(=O)OC)C)C)C
SPLASH splash10-0006-9000000000-9e2cbe762f4de22ac50f
Source of Spectrum B-40-1589-30
Wiley ID 1409197