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3-(7-Acetoxy-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester

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

3-(7-Acetoxy-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester
SpectraBase Compound ID JVajox6BOyt
InChI InChI=1S/C17H18O6/c1-4-21-16(19)8-7-14-10(2)13-6-5-12(22-11(3)18)9-15(13)23-17(14)20/h5-6,9H,4,7-8H2,1-3H3
InChIKey JKHIKEKJSCZBOY-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AemlhAVmdor
Name 7-Acetoxy-3-ethoxycarbonylethyl-4-methyl-coumarin
CAS Registry Number 114099-59-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-4-21-16(19)8-7-14-10(2)13-6-5-12(22-11(3)18)9-15(13)23-17(14)20/h5-6,9H,4,7-8H2,1-3H3
InChIKey JKHIKEKJSCZBOY-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference V.S. Parmar, S. Singh, P.M.Boll, Magn. Res. Chem. 26, 430 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3