| SpectraBase Spectrum ID |
Izds13EBL95 |
| Name |
2,2'-Dinitro-4,4'-diacetamidodiphenylsulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.058319974 u |
| Formula |
C16H14N4O7S |
| InChI |
InChI=1S/C16H14N4O7S/c1-9(21)17-13-7-11(19(23)24)3-5-15(13)28(27)16-6-4-12(20(25)26)8-14(16)18-10(2)22/h3-8H,1-2H3,(H,17,21)(H,18,22) |
| InChIKey |
AOCQHOSAKBCBSF-UHFFFAOYSA-N |
| Molecular Weight |
406.369 g/mol |
| SMILES |
C1(=CC(=C(C=C1)S(C1=CC=C(C=C1NC(C)=O)N(=O)=O)=O)NC(C)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963545 |
