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3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, methoxyacetate

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

3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, methoxyacetate
SpectraBase Compound ID IZeItxT0tNl
InChI InChI=1S/C22H20ClFO5/c1-3-5-14-15-9-8-13(28-21(25)12-27-2)10-20(15)29-22(26)16(14)11-17-18(23)6-4-7-19(17)24/h4,6-10H,3,5,11-12H2,1-2H3
InChIKey ZJVDOBAFVPEOBJ-UHFFFAOYSA-N
Mol Weight 418.85 g/mol
Molecular Formula C22H20ClFO5
Exact Mass 418.09833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DT9aKhMH7p2
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN, METHOXYACETATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClFO5
InChI InChI=1S/C22H20ClFO5/c1-3-5-14-15-9-8-13(28-21(25)12-27-2)10-20(15)29-22(26)16(14)11-17-18(23)6-4-7-19(17)24/h4,6-10H,3,5,11-12H2,1-2H3
InChIKey ZJVDOBAFVPEOBJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 129-131C
Molecular Weight 418.85
Solvent CDCl3; Reference=TMS; Temperature 297K