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Heptanoic acid, 6,7-dimethoxy-2-oxo-2H-chromen-4-ylmethyl ester

View entire compound with spectra: 1 NMR

Heptanoic acid, 6,7-dimethoxy-2-oxo-2H-chromen-4-ylmethyl ester
SpectraBase Compound ID J1q6x1Di8r6
InChI InChI=1S/C19H24O6/c1-4-5-6-7-8-18(20)24-12-13-9-19(21)25-15-11-17(23-3)16(22-2)10-14(13)15/h9-11H,4-8,12H2,1-3H3
InChIKey KYQNHJYQNAPCKX-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C19H24O6
Exact Mass 348.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gi9lBXWeZNR
Name Heptanoic acid, 6,7-dimethoxy-2-oxo-2H-chromen-4-ylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.157288487 u
Formula C19H24O6
InChI InChI=1S/C19H24O6/c1-4-5-6-7-8-18(20)24-12-13-9-19(21)25-15-11-17(23-3)16(22-2)10-14(13)15/h9-11H,4-8,12H2,1-3H3
InChIKey KYQNHJYQNAPCKX-UHFFFAOYSA-N
Molecular Weight 348.395 g/mol
SMILES C12=CC(OC)=C(C=C2OC(C=C1COC(CCCCCC)=O)=O)OC