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{[3-(2,6-dichlorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, 3,3-dimethyl-2-oxobutyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

{[3-(2,6-dichlorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, 3,3-dimethyl-2-oxobutyl ester
SpectraBase Compound ID 3H5LWV58CoF
InChI InChI=1S/C25H24Cl2O6/c1-14-16-9-8-15(31-13-23(29)32-12-22(28)25(2,3)4)10-21(16)33-24(30)17(14)11-18-19(26)6-5-7-20(18)27/h5-10H,11-13H2,1-4H3
InChIKey QCEGWGUYGSLZLG-UHFFFAOYSA-N
Mol Weight 491.37 g/mol
Molecular Formula C25H24Cl2O6
Exact Mass 490.094994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEgpJxmZACN
Name {[3-(2,6-DICHLOROBENZYL)-4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL]OXY}ACETIC ACID, 3,3-DIMETHYL-2-OXOBUTYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24Cl2O6
InChI InChI=1S/C25H24Cl2O6/c1-14-16-9-8-15(31-13-23(29)32-12-22(28)25(2,3)4)10-21(16)33-24(30)17(14)11-18-19(26)6-5-7-20(18)27/h5-10H,11-13H2,1-4H3
InChIKey QCEGWGUYGSLZLG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 153-156C
Molecular Weight 491.37
Solvent CDCl3; Reference=TMS; Temperature 297K