| SpectraBase Spectrum ID |
1MlE3coPdfE |
| Name |
3-Benzyloxycarbonylamino-N-(1-tert-butoxycarbonyl-2-phenyl-ethyl)-succinamic acid, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.267901565 u |
| Formula |
C29H38N2O7 |
| InChI |
InChI=1S/C29H38N2O7/c1-28(2,3)37-24(32)18-22(31-27(35)36-19-21-15-11-8-12-16-21)25(33)30-23(26(34)38-29(4,5)6)17-20-13-9-7-10-14-20/h7-16,22-23H,17-19H2,1-6H3,(H,30,33)(H,31,35) |
| InChIKey |
SVUASEARIOUXAP-UHFFFAOYSA-N |
| Molecular Weight |
526.630 g/mol |
| SMILES |
C(NC(C(OC(C)(C)C)=O)CC1=CC=CC=C1)(C(CC(OC(C)(C)C)=O)NC(=O)OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974505 |
