| SpectraBase Spectrum ID |
JRUtGv8GMRL |
| Name |
4-[(Nitrodiphenyl)methyl]tolyl-sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.087829201 u |
| Formula |
C20H17NO4S |
| InChI |
InChI=1S/C20H17NO4S/c1-16-12-14-19(15-13-16)26(24,25)20(21(22)23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3 |
| InChIKey |
XRFGGXXRIPCNJL-UHFFFAOYSA-N |
| Molecular Weight |
367.419 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)(N(=O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831194 |
![4-[(Nitrodiphenyl)methyl]tolyl-sulfone](/api/spectrum/JRUtGv8GMRL/structure.png?h=300&w=458 "4-[(Nitrodiphenyl)methyl]tolyl-sulfone")
