| SpectraBase Spectrum ID |
HQK0gf1Vg7B |
| Name |
bis(2,4-Dinitrophenyl)sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.980463573 u |
| Formula |
C12H6N4O10S |
| InChI |
InChI=1S/C12H6N4O10S/c17-13(18)7-1-3-11(9(5-7)15(21)22)27(25,26)12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H |
| InChIKey |
AFGYVZLIKYTRAH-UHFFFAOYSA-N |
| Molecular Weight |
398.258 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C(S(C=2C=CC(=CC2N(=O)=O)N(=O)=O)(=O)=O)=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.96684 |
