| SpectraBase Spectrum ID |
EzwxFkegi1K |
| Name |
(E)-Ethyl 2-(tert-butoxycarbonylamino)-3-(phenyl)prop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-5-20-14(18)13(11-12-9-7-6-8-10-12)17-15(19)21-16(2,3)4/h6-11H,5H2,1-4H3,(H,17,19)/b13-11+ |
| InChIKey |
BNYDWUZDWSSJGZ-ACCUITESSA-N |
| SMILES |
C(N\C(C(=O)OCC)=C/C1=CC=CC=C1)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975506 |
