| SpectraBase Spectrum ID |
A9fJw274kYe |
| Name |
N-Carbobenzyloxy-.gamma.-aminobutyrylglycine, 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/c1-2-22-15(20)11-18-14(19)9-6-10-17-16(21)23-12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,18,19) |
| InChIKey |
KJPQVUZPOZRLRG-UHFFFAOYSA-N |
| Molecular Weight |
322.361 g/mol |
| SMILES |
C1=C(C=CC=C1)COC(NCCCC(=O)NCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872677 |
