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N1,N2-Bis(tert-butoxycarbonyl)-N1-(2-oxo-2-phenylethyl)-4-phenylpiperazine-1-carboxamidine

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

N1,N2-Bis(tert-butoxycarbonyl)-N1-(2-oxo-2-phenylethyl)-4-phenylpiperazine-1-carboxamidine
SpectraBase Compound ID 3YeOGeqA0hi
InChI InChI=1S/C29H38N4O5/c1-28(2,3)37-26(35)30-25(32-19-17-31(18-20-32)23-15-11-8-12-16-23)33(27(36)38-29(4,5)6)21-24(34)22-13-9-7-10-14-22/h7-16H,17-21H2,1-6H3/b30-25-
InChIKey OTMCYDNNGPYHGZ-JVCXMKTPSA-N
Mol Weight 522.6 g/mol
Molecular Formula C29H38N4O5
Exact Mass 522.28422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7X12iJX59wh
Name N1,N2-bis(Tert-butoxycarbonyl)-N1-(2-oxo-2-phenylethyl)-4-phenylpiperazine-1-carboxamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.284220335 u
Formula C29H38N4O5
InChI InChI=1S/C29H38N4O5/c1-28(2,3)37-26(35)30-25(32-19-17-31(18-20-32)23-15-11-8-12-16-23)33(27(36)38-29(4,5)6)21-24(34)22-13-9-7-10-14-22/h7-16H,17-21H2,1-6H3/b30-25-
InChIKey OTMCYDNNGPYHGZ-JVCXMKTPSA-N
Molecular Weight 522.646 g/mol
SMILES C(N(\C(=N/C(OC(C)(C)C)=O)N1CCN(C2=CC=CC=C2)CC1)CC(=O)C1=CC=CC=C1)(OC(C)(C)C)=O