| SpectraBase Spectrum ID |
73xUuIl3F6y |
| Name |
2-Butenoic acid, 2-(acetylamino)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
171.089543280 u |
| Formula |
C8H13NO3 |
| InChI |
InChI=1S/C8H13NO3/c1-4-7(9-6(3)10)8(11)12-5-2/h4H,5H2,1-3H3,(H,9,10)/b7-4+ |
| InChIKey |
KSUSIPOPWNHTKQ-QPJJXVBHSA-N |
| Molecular Weight |
171.196 g/mol |
| SMILES |
C(=O)(\C(=C/C)NC(C)=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985595 |
