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4-Hydroxy-5-methoxy-3-(3,4-methylenedioxyphenyl)-1-benzopyran-2-one

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

4-Hydroxy-5-methoxy-3-(3,4-methylenedioxyphenyl)-1-benzopyran-2-one
SpectraBase Compound ID 3NWunrQ8llD
InChI InChI=1S/C17H12O6/c1-20-11-3-2-4-12-15(11)16(18)14(17(19)23-12)9-5-6-10-13(7-9)22-8-21-10/h2-7,18H,8H2,1H3
InChIKey LTUJKSQFQWYIBL-UHFFFAOYSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QYBDMm3iX1
Name 4-Hydroxy-5-methoxy-3-(3,4-methylenedioxyphenyl)-1-benzopyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.063388100 u
Formula C17H12O6
InChI InChI=1S/C17H12O6/c1-20-11-3-2-4-12-15(11)16(18)14(17(19)23-12)9-5-6-10-13(7-9)22-8-21-10/h2-7,18H,8H2,1H3
InChIKey LTUJKSQFQWYIBL-UHFFFAOYSA-N
Molecular Weight 312.277 g/mol
SMILES C1(=C(C2=C(OC)C=CC=C2OC1=O)O)C=1C=C2OCOC2=CC1