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2-[3-(2,6-Difluorobenzoyl)ureido]propionaldehyde. dimethyl acetal

View entire compound with spectra: 2 NMR, and 1 FTIR

2-[3-(2,6-Difluorobenzoyl)ureido]propionaldehyde. dimethyl acetal
SpectraBase Compound ID 3nJZBcQvTzC
InChI InChI=1S/C13H16F2N2O4/c1-7(12(20-2)21-3)16-13(19)17-11(18)10-8(14)5-4-6-9(10)15/h4-7,12H,1-3H3,(H2,16,17,18,19)
InChIKey FJQWWIAGSUSEOO-UHFFFAOYSA-N
Mol Weight 302.28 g/mol
Molecular Formula C13H16F2N2O4
Exact Mass 302.107813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKfQy5d0poP
Name 2-[3-(2,6-Difluorobenzoyl)ureido]propionaldehyde. dimethyl acetal
Comments Computed using HOSE algorithm
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Exact Mass 302.107813325 u
Formula C13H16F2N2O4
InChI InChI=1S/C13H16F2N2O4/c1-7(12(20-2)21-3)16-13(19)17-11(18)10-8(14)5-4-6-9(10)15/h4-7,12H,1-3H3,(H2,16,17,18,19)
InChIKey FJQWWIAGSUSEOO-UHFFFAOYSA-N
Molecular Weight 302.278 g/mol
SMILES N(C(C1=C(C=CC=C1F)F)=O)C(NC(C(OC)OC)C)=O