| SpectraBase Spectrum ID |
99n0VulSrzr |
| Name |
L-Alanyl-L-proline, N-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.121571683 u |
| Formula |
C11H18N2O5 |
| InChI |
InChI=1S/C11H18N2O5/c1-7(12-11(16)18-3)9(14)13-6-4-5-8(13)10(15)17-2/h7-8H,4-6H2,1-3H3,(H,12,16) |
| InChIKey |
JDCBJWSBPHKPSA-UHFFFAOYSA-N |
| Molecular Weight |
258.274 g/mol |
| SMILES |
COC(=O)C1N(C(C(NC(OC)=O)C)=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897468 |
