| SpectraBase Spectrum ID |
GWSRlfIMbGY |
| Name |
(E)-Trimethyl 2-cyanocyclopropane-3-methyl-1,1,2-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.074287137 u |
| Formula |
C11H13NO6 |
| InChI |
InChI=1S/C11H13NO6/c1-6-10(5-12,7(13)16-2)11(6,8(14)17-3)9(15)18-4/h6H,1-4H3/t6-,10+/m0/s1 |
| InChIKey |
WHJJJKLBTZVZAO-QUBYGPBYSA-N |
| Molecular Weight |
255.226 g/mol |
| SMILES |
C1([C@](C(=O)OC)(C#N)[C@@]1(C)[H])(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91513 |
