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2-Methylpropyl 2-[[1-(phenylmethoxycarbonyl)amino-2-phenylethyl]carbonylamino]benzoate
SpectraBase Compound ID 35YSkJ163i
InChI InChI=1S/C28H30N2O5/c1-20(2)18-34-27(32)23-15-9-10-16-24(23)29-26(31)25(17-21-11-5-3-6-12-21)30-28(33)35-19-22-13-7-4-8-14-22/h3-16,20,25H,17-19H2,1-2H3,(H,29,31)(H,30,33)
InChIKey SFFPDBYNLMZOGD-UHFFFAOYSA-N
Mol Weight 474.56 g/mol
Molecular Formula C28H30N2O5
Exact Mass 474.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MZ2Wca0rym
Name 2-Methylpropyl 2-[[1-(phenylmethoxycarbonyl)amino-2-phenylethyl]carbonylamino]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 474.215472069 u
Formula C28H30N2O5
InChI InChI=1S/C28H30N2O5/c1-20(2)18-34-27(32)23-15-9-10-16-24(23)29-26(31)25(17-21-11-5-3-6-12-21)30-28(33)35-19-22-13-7-4-8-14-22/h3-16,20,25H,17-19H2,1-2H3,(H,29,31)(H,30,33)
InChIKey SFFPDBYNLMZOGD-UHFFFAOYSA-N
Molecular Weight 474.557 g/mol
SMILES C1(=CC=CC=C1)COC(=O)NC(C(=O)NC=1C(=CC=CC1)C(OCC(C)C)=O)CC1=CC=CC=C1