| SpectraBase Spectrum ID |
1pq93f2pHJw |
| Name |
Malonic acid, 2-(2-chloro-3-dimethylaminoprop-2-enylideno)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.061135631 u |
| Formula |
C10H14ClNO4 |
| InChI |
InChI=1S/C10H14ClNO4/c1-12(2)6-7(11)5-8(9(13)15-3)10(14)16-4/h5-6H,1-4H3/b7-6- |
| InChIKey |
ZHFGCDHMQNHDLG-SREVYHEPSA-N |
| Molecular Weight |
247.678 g/mol |
| SMILES |
C(=C\C(=C\N(C)C)Cl)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981737 |
