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4-Hydroxy-6-methyl-3-[3-(4-phenylphenyl)prop-2-enoyl]pyran-2-one
SpectraBase Compound ID 1XdYvMvH3vO
InChI InChI=1S/C21H16O4/c1-14-13-19(23)20(21(24)25-14)18(22)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-13,23H,1H3/b12-9+
InChIKey BVAZKAKOPLLMDY-FMIVXFBMSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mbncMqxgb9
Name 4-Hydroxy-6-methyl-3-[3-(4-phenylphenyl)prop-2-enoyl]pyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.104858991 u
Formula C21H16O4
InChI InChI=1S/C21H16O4/c1-14-13-19(23)20(21(24)25-14)18(22)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-13,23H,1H3/b12-9+
InChIKey BVAZKAKOPLLMDY-FMIVXFBMSA-N
Molecular Weight 332.355 g/mol
SMILES C1(=CC=CC=C1)C1=CC=C(C=C1)\C=C\C(C1=C(C=C(OC1=O)C)O)=O