| SpectraBase Spectrum ID |
1jbtYU342XJ |
| Name |
1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.079706870 u |
| Formula |
C16H12N2O4 |
| InChI |
InChI=1S/C16H12N2O4/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22/h1-12H/b7-1+,8-2+ |
| InChIKey |
NOBVYURTQVHAAH-FACPPWRESA-N |
| Molecular Weight |
296.282 g/mol |
| SMILES |
C=1(N(=O)=O)C(\C=C\C=C\C=2C(N(=O)=O)=CC=CC2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885772 |
![1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene](/api/spectrum/1jbtYU342XJ/structure.png?h=300&w=458 "1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene")
