| SpectraBase Spectrum ID |
6Sk56Dj3Qno |
| Name |
1,1-Dimethyl 2,2-dicyano-3-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.100836237 u |
| Formula |
C17H16N2O6 |
| InChI |
InChI=1S/C17H16N2O6/c1-22-11-6-5-10(7-12(11)23-2)13-16(8-18,9-19)17(13,14(20)24-3)15(21)25-4/h5-7,13H,1-4H3 |
| InChIKey |
GUDYTSQVNIWAGT-UHFFFAOYSA-N |
| Molecular Weight |
344.323 g/mol |
| SMILES |
C1(=CC=C(C=C1OC)C1C(C#N)(C#N)C1(C(OC)=O)C(OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974782 |
