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2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, 2-methylpropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, 2-methylpropionate
SpectraBase Compound ID 8UteWxbAZ5X
InChI InChI=1S/C21H20O5/c1-13(2)21(23)26-18-6-4-5-14(3)20(18)16(22)9-7-15-8-10-17-19(11-15)25-12-24-17/h4-11,13H,12H2,1-3H3/b9-7+
InChIKey KPOAAVVHKZPXKL-VQHVLOKHSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6crrV9U1zDX
Name 2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-13(2)21(23)26-18-6-4-5-14(3)20(18)16(22)9-7-15-8-10-17-19(11-15)25-12-24-17/h4-11,13H,12H2,1-3H3/b9-7+
InChIKey KPOAAVVHKZPXKL-VQHVLOKHSA-N
Molecular Weight 352.386 g/mol
SMILES C1(=C(C=CC=C1OC(C(C)C)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O