| SpectraBase Compound ID | 973iHnuKYgg |
|---|---|
| InChI | InChI=1S/C17H13F3N4O3S/c18-17(19,20)16(25)22-12-6-8-14(9-7-12)28(26,27)23-15-10-11-21-24(15)13-4-2-1-3-5-13/h1-11,23H,(H,22,25) |
| InChIKey | GHVXUDHRVLIKTJ-UHFFFAOYSA-N |
| Mol Weight | 410.37 g/mol |
| Molecular Formula | C17H13F3N4O3S |
| Exact Mass | 410.066046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wFH2td0PXZ |
|---|---|
| Name | Sulfaphenazole tfa P1476 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.066045955 u |
| Formula | C17H13F3N4O3S |
| InChI | InChI=1S/C17H13F3N4O3S/c18-17(19,20)16(25)22-12-6-8-14(9-7-12)28(26,27)23-15-10-11-21-24(15)13-4-2-1-3-5-13/h1-11,23H,(H,22,25) |
| InChIKey | GHVXUDHRVLIKTJ-UHFFFAOYSA-N |
| Molecular Weight | 410.371 g/mol |
| SMILES | C1(=CC=C(C=C1)NC(=O)C(F)(F)F)S(NC1=CC=NN1C=1C=CC=CC1)(=O)=O |