| SpectraBase Spectrum ID |
5j1NlMIJj4f |
| Name |
L-nva- L-nle, N-(Benzyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.246772198 u |
| Formula |
C22H34N2O5 |
| InChI |
InChI=1S/C22H34N2O5/c1-4-7-14-19(21(26)28-15-6-3)23-20(25)18(11-5-2)24-22(27)29-16-17-12-9-8-10-13-17/h8-10,12-13,18-19H,4-7,11,14-16H2,1-3H3,(H,23,25)(H,24,27) |
| InChIKey |
CCCJWRNLZZLQSI-UHFFFAOYSA-N |
| Molecular Weight |
406.523 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OCCC)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873605 |
