| SpectraBase Spectrum ID |
3qiUx71CdIw |
| Name |
Pyrrolizin-1,7-dione-6-carboxylic acid, methyl(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
197.068807834 u |
| Formula |
C9H11NO4 |
| InChI |
InChI=1S/C9H11NO4/c1-14-9(13)6-4-5-2-3-7(11)10(5)8(6)12/h5-6H,2-4H2,1H3 |
| InChIKey |
MKWGDAVEFBGVAK-UHFFFAOYSA-N |
| Molecular Weight |
197.190 g/mol |
| SMILES |
C1(N2C(CC1)CC(C2=O)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966759 |
