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5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid

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

5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid
SpectraBase Compound ID AlXINHZP5RB
InChI InChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)
InChIKey FOEQHWOACOYFPK-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C17H21N3O4
Exact Mass 331.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oPQt1t4BCM
Name 5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid
Comments Computed using HOSE algorithm
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Exact Mass 331.153206164 u
Formula C17H21N3O4
InChI InChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)
InChIKey FOEQHWOACOYFPK-UHFFFAOYSA-N
Molecular Weight 331.372 g/mol
SMILES N1C(N(C(C(C1=O)(C=1C=CC=CC1)CC)=O)CN1CCOCC1)=O