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3-(p-Fluorobenzyl)-7-hydroxy-4-methylcoumarin, p-chlorobenzoate

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

3-(p-Fluorobenzyl)-7-hydroxy-4-methylcoumarin, p-chlorobenzoate
SpectraBase Compound ID LOzAaST54Wg
InChI InChI=1S/C24H16ClFO4/c1-14-20-11-10-19(29-23(27)16-4-6-17(25)7-5-16)13-22(20)30-24(28)21(14)12-15-2-8-18(26)9-3-15/h2-11,13H,12H2,1H3
InChIKey PIFKKNZQBPMKNU-UHFFFAOYSA-N
Mol Weight 422.84 g/mol
Molecular Formula C24H16ClFO4
Exact Mass 422.072115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fi98G8PWkgV
Name 3-(p-Fluorobenzyl)-7-hydroxy-4-methylcoumarin, p-chlorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 422.072114854 u
Formula C24H16ClFO4
InChI InChI=1S/C24H16ClFO4/c1-14-20-11-10-19(29-23(27)16-4-6-17(25)7-5-16)13-22(20)30-24(28)21(14)12-15-2-8-18(26)9-3-15/h2-11,13H,12H2,1H3
InChIKey PIFKKNZQBPMKNU-UHFFFAOYSA-N
Molecular Weight 422.839 g/mol
SMILES C=12C=CC(=CC1OC(C(=C2C)CC=1C=CC(=CC1)F)=O)OC(C=1C=CC(=CC1)Cl)=O