| SpectraBase Spectrum ID |
6yRij5qB5Z1 |
| Name |
N-Carbobenzyloxy-.beta.-alanyl-glycine methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.121571683 u |
| Formula |
C14H18N2O5 |
| InChI |
InChI=1S/C14H18N2O5/c1-20-13(18)9-16-12(17)7-8-15-14(19)21-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,16,17) |
| InChIKey |
SRTRHRPTDAYVJN-UHFFFAOYSA-N |
| SMILES |
C1(=CC=CC=C1)COC(NCCC(NCC(OC)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924283 |
