| SpectraBase Spectrum ID |
8P2rpYpsmBK |
| Name |
2,4-Dinitro-4'-methoxydiphenylsulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.025957218 u |
| Formula |
C13H10N2O6S |
| InChI |
InChI=1S/C13H10N2O6S/c1-21-10-3-5-11(6-4-10)22(20)13-7-2-9(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey |
FLGPYUMCNIRODW-UHFFFAOYSA-N |
| Molecular Weight |
322.291 g/mol |
| SMILES |
C1(S(=O)C2=CC=C(C=C2)OC)=C(C=C(C=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953022 |
