| SpectraBase Spectrum ID |
1GINMphA47D |
| Name |
(E)-Trimethyl 2-cyanocyclopropane-3-phenyl-1,1,2-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.089937201 u |
| Formula |
C16H15NO6 |
| InChI |
InChI=1S/C16H15NO6/c1-21-12(18)15(9-17)11(10-7-5-4-6-8-10)16(15,13(19)22-2)14(20)23-3/h4-8,11H,1-3H3/t11-,15+/m0/s1 |
| InChIKey |
YPHDYCJRZGXJRO-XHDPSFHLSA-N |
| Molecular Weight |
317.297 g/mol |
| SMILES |
C1([C@](C(=O)OC)(C#N)[C@@]1(C1=CC=CC=C1)[H])(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962467 |
