| SpectraBase Spectrum ID |
5bXs6xGxPoo |
| Name |
3-(3-Nitrophenyl)-methylene-1,5,5-trimethyl-pyrrolidin-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.095356935 u |
| Formula |
C14H14N2O4 |
| InChI |
InChI=1S/C14H14N2O4/c1-14(2)12(17)11(13(18)15(14)3)8-9-5-4-6-10(7-9)16(19)20/h4-8H,1-3H3/b11-8+ |
| InChIKey |
VJUDRNZPOWKYOZ-DHZHZOJOSA-N |
| SMILES |
C1(N(C(C(\C1=C\C1=CC=CC(=C1)N(=O)=O)=O)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931007 |
