| SpectraBase Compound ID | 2MqaDc1ewsS |
|---|---|
| InChI | InChI=1S/C14H12N2O3S/c1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2-9H,1H3,(H,15,17) |
| InChIKey | FTFRYWLQWIWPTQ-UHFFFAOYSA-N |
| Mol Weight | 288.32 g/mol |
| Molecular Formula | C14H12N2O3S |
| Exact Mass | 288.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLABHDTYcZd |
|---|---|
| Name | 4-Acetamido-4'-nitrodiphenylsulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.056863425 u |
| Formula | C14H12N2O3S |
| InChI | InChI=1S/C14H12N2O3S/c1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2-9H,1H3,(H,15,17) |
| InChIKey | FTFRYWLQWIWPTQ-UHFFFAOYSA-N |
| SMILES | C1=C(SC2=CC=C(C=C2)NC(C)=O)C=CC(=C1)N(=O)=O |