| SpectraBase Spectrum ID |
74a1JX48lKS |
| Name |
3-Tert-butoxycarbonylamino-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 |
492.283551629 u |
| Formula |
C26H40N2O7 |
| InChI |
InChI=1S/C26H40N2O7/c1-24(2,3)33-20(29)16-18(28-23(32)35-26(7,8)9)21(30)27-19(22(31)34-25(4,5)6)15-17-13-11-10-12-14-17/h10-14,18-19H,15-16H2,1-9H3,(H,27,30)(H,28,32) |
| InChIKey |
VUBIMQQEJWMINI-UHFFFAOYSA-N |
| Molecular Weight |
492.613 g/mol |
| SMILES |
C(NC(C(OC(C)(C)C)=O)CC1=CC=CC=C1)(C(CC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929167 |
