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3-[3-(2,4-Dimethylphenyl)-3-oxoprop-1-en-1-yl]-6-methylchromen-4-one
SpectraBase Compound ID IUNJoqaY2Nr
InChI InChI=1S/C21H18O3/c1-13-4-7-17(15(3)10-13)19(22)8-6-16-12-24-20-9-5-14(2)11-18(20)21(16)23/h4-12H,1-3H3/b8-6+
InChIKey JNRIEYWQTVCASC-SOFGYWHQSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHAnmh33jPP
Name 3-[3-(2,4-Dimethylphenyl)-3-oxoprop-1-en-1-yl]-6-methylchromen-4-one
Comments Computed using HOSE algorithm
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Exact Mass 318.125594437 u
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-13-4-7-17(15(3)10-13)19(22)8-6-16-12-24-20-9-5-14(2)11-18(20)21(16)23/h4-12H,1-3H3/b8-6+
InChIKey JNRIEYWQTVCASC-SOFGYWHQSA-N
Molecular Weight 318.372 g/mol
SMILES C1=CC(=CC2=C1OC=C(C2=O)\C=C\C(C1=C(C=C(C=C1)C)C)=O)C