| SpectraBase Spectrum ID |
J3Y4ZOzrU82 |
| Name |
1,7-Diethyl 4,4-dicyanoheptanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.126657064 u |
| Formula |
C13H18N2O4 |
| InChI |
InChI=1S/C13H18N2O4/c1-3-18-11(16)5-7-13(9-14,10-15)8-6-12(17)19-4-2/h3-8H2,1-2H3 |
| InChIKey |
AIFUOUBBQRDBED-UHFFFAOYSA-N |
| Molecular Weight |
266.297 g/mol |
| SMILES |
C(CCC(OCC)=O)(CCC(OCC)=O)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964723 |
