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3-(2-Chloro-4-methyl-phenoxy)-5-(4-methyl-phenoxy)-4-hydroxy-glyoxylic acid, methyl ester
SpectraBase Compound ID EtiDkznZ29k
InChI InChI=1S/C23H19ClO6/c1-13-4-7-16(8-5-13)29-19-11-15(21(25)23(27)28-3)12-20(22(19)26)30-18-9-6-14(2)10-17(18)24/h4-12,26H,1-3H3
InChIKey SODXZSGMITWIFS-UHFFFAOYSA-N
Mol Weight 426.85 g/mol
Molecular Formula C23H19ClO6
Exact Mass 426.087016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1755UV2oNwB
Name 3-(2-Chloro-4-methyl-phenoxy)-5-(4-methyl-phenoxy)-4-hydroxy-glyoxylic acid, methyl ester
CAS Registry Number 73957-89-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H19ClO6
InChI InChI=1S/C23H19ClO6/c1-13-4-7-16(8-5-13)29-19-11-15(21(25)23(27)28-3)12-20(22(19)26)30-18-9-6-14(2)10-17(18)24/h4-12,26H,1-3H3
InChIKey SODXZSGMITWIFS-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference W.J. McGahren, J.H. Martin, G.O.Morton, J. Am. Chem. Soc. 102, 1671 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3