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2-(4-Methylphenyl)-5-morpholin-4-yl-3H-imidazol-4-carbonsaeuremethylester
SpectraBase Compound ID fS7YAwpn4b
InChI InChI=1S/C16H19N3O4/c1-21-12-5-3-11(4-6-12)14-17-13(16(20)22-2)15(18-14)19-7-9-23-10-8-19/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKey RHGGJLFNMIRVLA-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XWUIyRFEvJ
Name 2-(4-Methylphenyl)-5-morpholin-4-yl-3H-imidazol-4-carbonsaeuremethylester
Comments Computed using HOSE algorithm
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Exact Mass 317.137556100 u
Formula C16H19N3O4
InChI InChI=1S/C16H19N3O4/c1-21-12-5-3-11(4-6-12)14-17-13(16(20)22-2)15(18-14)19-7-9-23-10-8-19/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKey RHGGJLFNMIRVLA-UHFFFAOYSA-N
Molecular Weight 317.345 g/mol
SMILES C=1(NC(C(OC)=O)=C(N1)N1CCOCC1)C1=CC=C(C=C1)OC