| SpectraBase Spectrum ID |
A4pxsaWObbg |
| Name |
4-[2-(4-Methylphenyl)-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 |
305.080041223 u |
| Formula |
C17H11N3O3 |
| InChI |
InChI=1S/C17H11N3O3/c1-11-2-4-12(5-3-11)17(21)8-13-6-14(9-18)15(10-19)7-16(13)20(22)23/h2-7H,8H2,1H3 |
| InChIKey |
DKEQSAWEFUOXIA-UHFFFAOYSA-N |
| Molecular Weight |
305.293 g/mol |
| SMILES |
CC1=CC=C(C(CC2=C(N(=O)=O)C=C(C#N)C(=C2)C#N)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874186 |
![4-[2-(4-Methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile](/api/spectrum/A4pxsaWObbg/structure.png?h=300&w=458 "4-[2-(4-Methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile")
