| SpectraBase Spectrum ID |
4HGuHdTp7P0 |
| Name |
4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.074955842 u |
| Formula |
C17H11N3O4 |
| InChI |
InChI=1S/C17H11N3O4/c1-24-15-4-2-11(3-5-15)17(21)8-12-6-13(9-18)14(10-19)7-16(12)20(22)23/h2-7H,8H2,1H3 |
| InChIKey |
GPOGMEYDHRJAQR-UHFFFAOYSA-N |
| Molecular Weight |
321.292 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)C(CC1=CC(=C(C#N)C=C1N(=O)=O)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869684 |
![4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile](/api/spectrum/4HGuHdTp7P0/structure.png?h=300&w=458 "4-[2-(4-Methoxyphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile")
