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

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

3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, 2,4-dichlorobenzoate
SpectraBase Compound ID IkrMYiBwBkC
InChI InChI=1S/C26H18Cl3FO4/c1-2-4-16-17-10-8-15(33-25(31)18-9-7-14(27)11-22(18)29)12-24(17)34-26(32)19(16)13-20-21(28)5-3-6-23(20)30/h3,5-12H,2,4,13H2,1H3
InChIKey MACVBNHIMUQCQA-UHFFFAOYSA-N
Mol Weight 519.78 g/mol
Molecular Formula C26H18Cl3FO4
Exact Mass 518.02547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26BsHfwGFUh
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN, 2,4-DICHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18Cl3FO4
InChI InChI=1S/C26H18Cl3FO4/c1-2-4-16-17-10-8-15(33-25(31)18-9-7-14(27)11-22(18)29)12-24(17)34-26(32)19(16)13-20-21(28)5-3-6-23(20)30/h3,5-12H,2,4,13H2,1H3
InChIKey MACVBNHIMUQCQA-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 115-117C
Molecular Weight 519.79
Solvent CDCl3; Reference=TMS; Temperature 297K