| SpectraBase Spectrum ID |
zvVSofSY3G |
| Name |
o-Benzylaspartylglycine ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.137221747 u |
| Formula |
C15H20N2O5 |
| InChI |
InChI=1S/C15H20N2O5/c1-2-21-14(19)9-17-15(20)12(16)8-13(18)22-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,16H2,1H3,(H,17,20) |
| InChIKey |
MYEVWIRFMZRGMU-UHFFFAOYSA-N |
| Molecular Weight |
308.334 g/mol |
| SMILES |
C1=C(C=CC=C1)COC(CC(C(NCC(=O)OCC)=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980407 |
