| SpectraBase Compound ID | E38HjNNorE4 |
|---|---|
| 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 |
| Mol Weight | 333.32 g/mol |
| Molecular Formula | C14H11N3O5S |
| Exact Mass | 333.041942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZ9OR3sdRM2 |
|---|---|
| Name | 4'-Acetamido-3',4-dinitrodiphenylsulfide |
| Comments | Computed using HOSE algorithm |
| 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 |