| SpectraBase Compound ID | JdDh49yGKRd |
|---|---|
| InChI | InChI=1S/C13H9F3N2O2S/c14-13(15,16)8-5-6-12(10(7-8)18(19)20)21-11-4-2-1-3-9(11)17/h1-7H,17H2 |
| InChIKey | RWSBANZPGBSQRS-UHFFFAOYSA-N |
| Mol Weight | 314.28 g/mol |
| Molecular Formula | C13H9F3N2O2S |
| Exact Mass | 314.033683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oYyDj8pCHy |
|---|---|
| Name | 2'-Amino-2-nitro-4-trifluoromethyldiphenylsulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.033683199 u |
| Formula | C13H9F3N2O2S |
| InChI | InChI=1S/C13H9F3N2O2S/c14-13(15,16)8-5-6-12(10(7-8)18(19)20)21-11-4-2-1-3-9(11)17/h1-7H,17H2 |
| InChIKey | RWSBANZPGBSQRS-UHFFFAOYSA-N |
| Molecular Weight | 314.282 g/mol |
| SMILES | C1=C(SC2=CC=C(C=C2N(=O)=O)C(F)(F)F)C(=CC=C1)N |