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4-[3'-(Ethoxycarbonyl)propyl]-7-[benzoylmethoxy]-8-methylcoumarin

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-[3'-(Ethoxycarbonyl)propyl]-7-[benzoylmethoxy]-8-methylcoumarin
SpectraBase Compound ID 6QYaErgiFR7
InChI InChI=1S/C24H24O6/c1-3-28-22(26)11-7-10-18-14-23(27)30-24-16(2)21(13-12-19(18)24)29-15-20(25)17-8-5-4-6-9-17/h4-6,8-9,12-14H,3,7,10-11,15H2,1-2H3
InChIKey YNGGKQFNRCVBTF-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C24H24O6
Exact Mass 408.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWygITyYNLB
Name 4-[3'-(Ethoxycarbonyl)propyl]-7-[benzoylmethoxy]-8-methylcoumarin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.157288487 u
Formula C24H24O6
InChI InChI=1S/C24H24O6/c1-3-28-22(26)11-7-10-18-14-23(27)30-24-16(2)21(13-12-19(18)24)29-15-20(25)17-8-5-4-6-9-17/h4-6,8-9,12-14H,3,7,10-11,15H2,1-2H3
InChIKey YNGGKQFNRCVBTF-UHFFFAOYSA-N
Molecular Weight 408.450 g/mol
SMILES C(CCCC1=CC(OC=2C(=C(C=CC12)OCC(C1=CC=CC=C1)=O)C)=O)(=O)OCC