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Butanenitrile, 2-(t-butoxycarbonyl)amino-3-(dibenzylamino)-5-phenyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Butanenitrile, 2-(t-butoxycarbonyl)amino-3-(dibenzylamino)-5-phenyl-
SpectraBase Compound ID 2XtGBy2SyNr
InChI InChI=1S/C29H33N3O2/c1-29(2,3)34-28(33)31-26(20-30)27(19-23-13-7-4-8-14-23)32(21-24-15-9-5-10-16-24)22-25-17-11-6-12-18-25/h4-18,26-27H,19,21-22H2,1-3H3,(H,31,33)
InChIKey UWDJUTVPOCEPIM-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C29H33N3O2
Exact Mass 455.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRN6hwLmHlU
Name Butanenitrile, 2-(T-butoxycarbonyl)amino-3-(dibenzylamino)-5-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 455.257277313 u
Formula C29H33N3O2
InChI InChI=1S/C29H33N3O2/c1-29(2,3)34-28(33)31-26(20-30)27(19-23-13-7-4-8-14-23)32(21-24-15-9-5-10-16-24)22-25-17-11-6-12-18-25/h4-18,26-27H,19,21-22H2,1-3H3,(H,31,33)
InChIKey UWDJUTVPOCEPIM-UHFFFAOYSA-N
Molecular Weight 455.602 g/mol
SMILES C1=CC(=CC=C1)CN(CC=1C=CC=CC1)C(CC1=CC=CC=C1)C(C#N)NC(OC(C)(C)C)=O