| SpectraBase Spectrum ID |
JfMB7LUPeIu |
| Name |
L-Norvalyl-L-norvaline, N-benzyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.262422262 u |
| Formula |
C23H36N2O5 |
| InChI |
InChI=1S/C23H36N2O5/c1-4-7-11-16-29-22(27)20(13-6-3)24-21(26)19(12-5-2)25-23(28)30-17-18-14-9-8-10-15-18/h8-10,14-15,19-20H,4-7,11-13,16-17H2,1-3H3,(H,24,26)(H,25,28) |
| InChIKey |
IRLZPPPTPKTPJF-UHFFFAOYSA-N |
| Molecular Weight |
420.550 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(NC(C(NC(CCC)C(OCCCCC)=O)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912841 |
