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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ABfmYmzaGF0
Name Benzoic acid, 3-chloro-2,5-dimethyl-4,6-bis(phenylmethoxy)-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 602.207131160 u
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)OCC=1C=CC=CC1)OCC1=CC=CC=C1)C(OC=1C(=C(OC)C(=C(C1C)C)C(=O)OC)C)=O