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{[3-(2-chloro-6-fluorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, ethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

{[3-(2-chloro-6-fluorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, ethyl ester
SpectraBase Compound ID 7w5rG5DO5gQ
InChI InChI=1S/C21H18ClFO5/c1-3-26-20(24)11-27-13-7-8-14-12(2)15(21(25)28-19(14)9-13)10-16-17(22)5-4-6-18(16)23/h4-9H,3,10-11H2,1-2H3
InChIKey DDGSCLAXVUXYBQ-UHFFFAOYSA-N
Mol Weight 404.82 g/mol
Molecular Formula C21H18ClFO5
Exact Mass 404.08268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8N4rYsIqYfF
Name {[3-(2-CHLORO-6-FLUOROBENZYL)-4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL]OXY}ACETIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClFO5
InChI InChI=1S/C21H18ClFO5/c1-3-26-20(24)11-27-13-7-8-14-12(2)15(21(25)28-19(14)9-13)10-16-17(22)5-4-6-18(16)23/h4-9H,3,10-11H2,1-2H3
InChIKey DDGSCLAXVUXYBQ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 135-136C
Molecular Weight 404.83
Solvent CDCl3; Reference=TMS; Temperature 297K