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1H-Imidazole-5-carboxylic acid, 4-[(dibenzylamino)carbonyl]-, ethyl ester

View entire compound with spectra: 1 NMR

1H-Imidazole-5-carboxylic acid, 4-[(dibenzylamino)carbonyl]-, ethyl ester
SpectraBase Compound ID EfPAcES1ZgQ
InChI InChI=1S/C21H21N3O3/c1-2-27-21(26)19-18(22-15-23-19)20(25)24(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKey MPPPCCOFDMTCKI-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eJCsFm0vY5
Name 1H-Imidazole-5-carboxylic acid, 4-[(dibenzylamino)carbonyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.158291545 u
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c1-2-27-21(26)19-18(22-15-23-19)20(25)24(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKey MPPPCCOFDMTCKI-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
SMILES C=1NC(=C(N1)C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)=O)C(OCC)=O