| SpectraBase Spectrum ID |
Kz7NUQRtQQ1 |
| Name |
Fumaric acid, diamide, N,N'-di(4-ethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.168127954 u |
| Formula |
C20H22N2O2 |
| InChI |
InChI=1S/C20H22N2O2/c1-3-15-5-9-17(10-6-15)21-19(23)13-14-20(24)22-18-11-7-16(4-2)8-12-18/h5-14H,3-4H2,1-2H3,(H,21,23)(H,22,24)/b14-13+ |
| InChIKey |
XYSRLNFXDADQMJ-BUHFOSPRSA-N |
| Molecular Weight |
322.408 g/mol |
| SMILES |
C1=C(C=CC(=C1)CC)NC(\C=C\C(NC1=CC=C(CC)C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849017 |
