| SpectraBase Spectrum ID |
DMkYqwb0vcq |
| Name |
Diisopropyl 2-cyano-3-(phenylamino)but-2-ene-1,4-dioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.142307128 u |
| Formula |
C17H20N2O4 |
| InChI |
InChI=1S/C17H20N2O4/c1-11(2)22-16(20)14(10-18)15(17(21)23-12(3)4)19-13-8-6-5-7-9-13/h5-9,11-12,19H,1-4H3/b15-14- |
| InChIKey |
KNLJPPHKFQLWNE-PFONDFGASA-N |
| Molecular Weight |
316.357 g/mol |
| SMILES |
C(\C(=C\(C(OC(C)C)=O)C#N)NC=1C=CC=CC1)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954274 |
