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

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

3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, pivalate
SpectraBase Compound ID 775MYRsQ9Hm
InChI InChI=1S/C24H24ClFO4/c1-5-7-15-16-11-10-14(29-23(28)24(2,3)4)12-21(16)30-22(27)17(15)13-18-19(25)8-6-9-20(18)26/h6,8-12H,5,7,13H2,1-4H3
InChIKey XCQBHAWUKPIFDJ-UHFFFAOYSA-N
Mol Weight 430.9 g/mol
Molecular Formula C24H24ClFO4
Exact Mass 430.134715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KaqlZFujKPl
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN, PIVALATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24ClFO4
InChI InChI=1S/C24H24ClFO4/c1-5-7-15-16-11-10-14(29-23(28)24(2,3)4)12-21(16)30-22(27)17(15)13-18-19(25)8-6-9-20(18)26/h6,8-12H,5,7,13H2,1-4H3
InChIKey XCQBHAWUKPIFDJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 103-105C
Molecular Weight 430.91
Solvent CDCl3; Reference=TMS; Temperature 297K