| SpectraBase Spectrum ID |
CZEpDe5OQMu |
| Name |
(2Z)-2-(4-Ketoazetidin-2-ylidene)acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
155.058243151 u |
| Formula |
C7H9NO3 |
| InChI |
InChI=1S/C7H9NO3/c1-2-11-7(10)4-5-3-6(9)8-5/h4H,2-3H2,1H3,(H,8,9)/b5-4- |
| InChIKey |
XXHITGOMWJRSJM-PLNGDYQASA-N |
| Molecular Weight |
155.153 g/mol |
| SMILES |
C(\C=C/1NC(C1)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990172 |
