| SpectraBase Spectrum ID |
DVrptVEI6UU |
| Name |
Glycyl-L-phenylalanine, N-ethoxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.152871811 u |
| Formula |
C16H22N2O5 |
| InChI |
InChI=1S/C16H22N2O5/c1-3-22-15(20)13(10-12-8-6-5-7-9-12)18-14(19)11-17-16(21)23-4-2/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,21)(H,18,19) |
| InChIKey |
QRTXRCHVLKBBML-UHFFFAOYSA-N |
| Molecular Weight |
322.361 g/mol |
| SMILES |
CCOC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940172 |
