| SpectraBase Spectrum ID |
KFjbRmHfIjo |
| Name |
(E)-3-(4-Nitrophenyl)-1-[3-(4-nitrophenyl)-2-oxiranyl]-2-propen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.069536108 u |
| Formula |
C17H12N2O6 |
| InChI |
InChI=1S/C17H12N2O6/c20-15(10-3-11-1-6-13(7-2-11)18(21)22)17-16(25-17)12-4-8-14(9-5-12)19(23)24/h1-10,16-17H/b10-3+ |
| InChIKey |
KTFKQLNWUAKWAU-XCVCLJGOSA-N |
| Molecular Weight |
340.291 g/mol |
| SMILES |
C1(C(C(\C=C\C=2C=CC(=CC2)N(=O)=O)=O)O1)C=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969531 |
![(E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)-2-oxiranyl]-2-propen-1-one](/api/spectrum/KFjbRmHfIjo/structure.png?h=300&w=458 "(E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)-2-oxiranyl]-2-propen-1-one")
