| SpectraBase Compound ID | FJUkvH5C6HD |
|---|---|
| InChI | InChI=1S/C12H9N3O4S/c13-11-6-5-10(7-12(11)15(18)19)20-9-3-1-8(2-4-9)14(16)17/h1-7H,13H2 |
| InChIKey | CCZYAADVWIVMMQ-UHFFFAOYSA-N |
| Mol Weight | 291.28 g/mol |
| Molecular Formula | C12H9N3O4S |
| Exact Mass | 291.031377 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJPV6cYTEik |
|---|---|
| Name | 4-Amino-3,4'-dinitrodiphenylsulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.031376952 u |
| Formula | C12H9N3O4S |
| InChI | InChI=1S/C12H9N3O4S/c13-11-6-5-10(7-12(11)15(18)19)20-9-3-1-8(2-4-9)14(16)17/h1-7H,13H2 |
| InChIKey | CCZYAADVWIVMMQ-UHFFFAOYSA-N |
| SMILES | C1=C(SC2=CC(=C(C=C2)N)N(=O)=O)C=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981524 |