![2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative](/api/spectrum/FDXFxxMKy9G/structure.png?h=300&w=458 "2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative")
| SpectraBase Compound ID | 7IXpTQwTBm |
|---|---|
| InChI | InChI=1S/C17H16FNO2S/c1-12(20)19(13(2)21)16-5-3-4-6-17(16)22-11-14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3 |
| InChIKey | DSFLOOBZFXTISB-UHFFFAOYSA-N |
| Mol Weight | 317.38 g/mol |
| Molecular Formula | C17H16FNO2S |
| Exact Mass | 317.088578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDXFxxMKy9G |
|---|---|
| Name | 2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.088578094 u |
| Formula | C17H16FNO2S |
| InChI | InChI=1S/C17H16FNO2S/c1-12(20)19(13(2)21)16-5-3-4-6-17(16)22-11-14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3 |
| InChIKey | DSFLOOBZFXTISB-UHFFFAOYSA-N |
| Molecular Weight | 317.378 g/mol |
| SMILES | C1(N(C(=O)C)C(=O)C)=C(C=CC=C1)SCC1=CC=C(C=C1)F |