| SpectraBase Spectrum ID |
3nS3xpJLlHC |
| Name |
5-Methoxy-1,3-bis(3-nitrophenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.090271554 u |
| Formula |
C19H14N2O5 |
| InChI |
InChI=1S/C19H14N2O5/c1-26-19-11-15(13-4-2-6-17(9-13)20(22)23)8-16(12-19)14-5-3-7-18(10-14)21(24)25/h2-12H,1H3 |
| InChIKey |
KYNCHMDPWOINDE-UHFFFAOYSA-N |
| Molecular Weight |
350.330 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C2=CC(C=3C=C(N(=O)=O)C=CC3)=CC(=C2)OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965176 |
