| SpectraBase Spectrum ID |
EiR4SpYXouQ |
| Name |
Dimethyl 2-(1,4-dicyanobutan-2-yl)succinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.111006999 u |
| Formula |
C12H16N2O4 |
| InChI |
InChI=1S/C12H16N2O4/c1-17-11(15)8-10(12(16)18-2)9(5-7-14)4-3-6-13/h9-10H,3-5,8H2,1-2H3 |
| InChIKey |
NVUSDCKSENKYAQ-UHFFFAOYSA-N |
| Molecular Weight |
252.270 g/mol |
| SMILES |
C(C#N)CC(CC#N)C(CC(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941803 |
