| SpectraBase Spectrum ID |
2igrS2fxbCc |
| Name |
N1,N2-bis(Tert-butoxycarbonyl)-N1-(2-oxo-2-phenylethyl)-4-phenylpiperazine-1-carboxamidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862459 |
