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

*Links on SpectraBase are not permalinks.

Methyl 5-chloro-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate

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

Methyl 5-chloro-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
SpectraBase Compound ID 5gvUDOc5pIm
InChI InChI=1S/C20H21ClO8/c1-8-13(19(24)27-5)12(7-11(22)15(8)21)29-18-10(3)16(23)14(20(25)28-6)9(2)17(18)26-4/h7,22-23H,1-6H3
InChIKey LEZVJRYXMZDQML-UHFFFAOYSA-N
Mol Weight 424.83 g/mol
Molecular Formula C20H21ClO8
Exact Mass 424.092495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AMLk473ncIi
Name Methyl 5-chloro-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.092495328 u
Formula C20H21ClO8
InChI InChI=1S/C20H21ClO8/c1-8-13(19(24)27-5)12(7-11(22)15(8)21)29-18-10(3)16(23)14(20(25)28-6)9(2)17(18)26-4/h7,22-23H,1-6H3
InChIKey LEZVJRYXMZDQML-UHFFFAOYSA-N
Molecular Weight 424.833 g/mol
SMILES C1(=C(C(C)=C(C(=C1C)OC)OC=1C(=C(C)C(=C(C1)O)Cl)C(=O)OC)O)C(=O)OC