| SpectraBase Spectrum ID |
GJlNoYecEEv |
| Name |
3,4-Pyridinedicarboxylic acid, 5-chloro-1,6-dihydro-1-(4-methoxyphenyl)-6-oxo-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.050964869 u |
| Formula |
C16H14ClNO6 |
| InChI |
InChI=1S/C16H14ClNO6/c1-22-10-6-4-9(5-7-10)18-8-11(15(20)23-2)12(16(21)24-3)13(17)14(18)19/h4-8H,1-3H3 |
| InChIKey |
IPCYYDCVMMJJPT-UHFFFAOYSA-N |
| Molecular Weight |
351.742 g/mol |
| SMILES |
C=1(C(=C(Cl)C(N(C1)C1=CC=C(C=C1)OC)=O)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907621 |
