| SpectraBase Spectrum ID |
1On4zz8ZzMg |
| Name |
4'-Acetamido-3',4-dinitrodiphenylsulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.041941635 u |
| Formula |
C14H11N3O5S |
| InChI |
InChI=1S/C14H11N3O5S/c1-9(18)15-13-7-6-12(8-14(13)17(21)22)23-11-4-2-10(3-5-11)16(19)20/h2-8H,1H3,(H,15,18) |
| InChIKey |
FOIBSIMPPHPWOP-UHFFFAOYSA-N |
| Molecular Weight |
333.318 g/mol |
| SMILES |
C1=C(SC2=CC(=C(C=C2)NC(=O)C)N(=O)=O)C=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965653 |
