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4-Imidazolic acid, 1-triphenylmethyl-, ethyl ester
SpectraBase Compound ID 8ad3MrPcdbF
InChI InChI=1S/C25H22N2O2/c1-2-29-24(28)23-18-27(19-26-23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKey KXDKACKOPKUCBU-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C25H22N2O2
Exact Mass 382.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uWMRl2dDfk
Name 4-Imidazolic acid, 1-triphenylmethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.168127954 u
Formula C25H22N2O2
InChI InChI=1S/C25H22N2O2/c1-2-29-24(28)23-18-27(19-26-23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKey KXDKACKOPKUCBU-UHFFFAOYSA-N
Molecular Weight 382.463 g/mol
SMILES C=1N(C=C(N1)C(OCC)=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1