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

*Links on SpectraBase are not permalinks.
Benzoic acid, 3-chloro-2,5-dimethyl-4,6-bis(phenylmethoxy)-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 65aNql08vml
InChI InChI=1S/C35H35ClO7/c1-20-21(2)30(23(4)31(39-6)27(20)34(37)40-7)43-35(38)28-22(3)29(36)33(42-19-26-16-12-9-13-17-26)24(5)32(28)41-18-25-14-10-8-11-15-25/h8-17H,18-19H2,1-7H3
InChIKey CVQSAFGJAVABRW-UHFFFAOYSA-N
Mol Weight 603.1 g/mol
Molecular Formula C35H35ClO7
Exact Mass 602.207131 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 CbfUhGhQX0Q
Name Benzoic acid, 3-chloro-2,5-dimethyl-4,6-bis(phenylmethoxy)-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-37-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35ClO7
InChI InChI=1S/C35H35ClO7/c1-20-21(2)30(23(4)31(39-6)27(20)34(37)40-7)43-35(38)28-22(3)29(36)33(42-19-26-16-12-9-13-17-26)24(5)32(28)41-18-25-14-10-8-11-15-25/h8-17H,18-19H2,1-7H3
InChIKey CVQSAFGJAVABRW-UHFFFAOYSA-N
Molecular Weight 603.111 g/mol
SMILES c1(c(c(C)c(c(c1C)Cl)OCc1ccccc1)OCc1ccccc1)C(Oc1c(c(OC)c(c(c1C)C)C(=O)OC)C)=O
SPLASH splash10-0006-9000000000-fd5cbc695b48e1036889
Source of Spectrum B-40-1589-31
Synonyms 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 2,4-bis(benzyloxy)-5-chloro-3,6-dimethylbenzoate Methyl 2,4-di-O-benzyl-2'-O-methyleriodermate Methyl 4-(5'-chloro-2',4'-dibenzyloxy-3',6'-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate
Wiley ID 1410317