| SpectraBase Spectrum ID |
Fc5Y0OR4IKS |
| Name |
L-nva- L-nle, N-(Benzyloxycarbonyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.231122133 u |
| Formula |
C21H32N2O5 |
| InChI |
InChI=1S/C21H32N2O5/c1-4-7-14-18(20(25)27-6-3)22-19(24)17(11-5-2)23-21(26)28-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,4-7,11,14-15H2,1-3H3,(H,22,24)(H,23,26) |
| InChIKey |
YLAIYZNOHNXHFX-UHFFFAOYSA-N |
| Molecular Weight |
392.496 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OCC)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803473 |
