| SpectraBase Spectrum ID |
50rtRfWZYNL |
| Name |
3-(2-Tert-butoxycarbonylamino-acetylamino)-3-phenyl-propionic, acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.184171940 u |
| Formula |
C18H26N2O5 |
| InChI |
InChI=1S/C18H26N2O5/c1-5-24-16(22)11-14(13-9-7-6-8-10-13)20-15(21)12-19-17(23)25-18(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H,19,23)(H,20,21) |
| InChIKey |
NXPQIEXNGCUPDE-UHFFFAOYSA-N |
| Molecular Weight |
350.415 g/mol |
| SMILES |
C(C(NC(CNC(OC(C)(C)C)=O)=O)C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85491 |
