| SpectraBase Spectrum ID |
4BI66Z2FEMy |
| Name |
1,3-Dimethyl 2-(pyridin-3-ylmethylidene)propanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-15-10(13)9(11(14)16-2)6-8-4-3-5-12-7-8/h3-7H,1-2H3 |
| InChIKey |
VDFGBWQSBHQBBU-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1=CC=C(C=N1)C=C(C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940956 |
