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N-Methyl-N-(3'-phenyl-5'-isoxazolyl)-2-propenamide
SpectraBase Compound ID C6C7JBymHTO
InChI InChI=1S/C13H12N2O2/c1-3-12(16)15(2)13-9-11(14-17-13)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKey RGOORFFISUNWEY-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zn3Nl1K5l4
Name N-Methyl-N-(3'-phenyl-5'-isoxazolyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 228.089877632 u
Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c1-3-12(16)15(2)13-9-11(14-17-13)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKey RGOORFFISUNWEY-UHFFFAOYSA-N
Molecular Weight 228.251 g/mol
SMILES C1(=CC(C2=CC=CC=C2)=NO1)N(C(C=C)=O)C