| SpectraBase Spectrum ID |
I24M2hwTBVJ |
| Name |
1,3-Benzenedicarbonitrile, 5-chloro-2,4,6-triethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.077120048 u |
| Formula |
C14H15ClN2O3 |
| InChI |
InChI=1S/C14H15ClN2O3/c1-4-18-12-9(7-16)13(19-5-2)11(15)14(20-6-3)10(12)8-17/h4-6H2,1-3H3 |
| InChIKey |
RQJLDYFKRFJJPM-UHFFFAOYSA-N |
| Molecular Weight |
294.738 g/mol |
| SMILES |
C=1(C(=C(C#N)C(=C(C1OCC)Cl)OCC)OCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950188 |
