| SpectraBase Compound ID | 1wnlBVwq3XK |
|---|---|
| InChI | InChI=1S/C17H18FN3S/c18-14-6-8-16(9-7-14)20-10-12-21(13-11-20)17(22)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22) |
| InChIKey | KNLMVWCNSDJVJP-UHFFFAOYSA-N |
| Mol Weight | 315.41 g/mol |
| Molecular Formula | C17H18FN3S |
| Exact Mass | 315.120547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FNYm1fHHCc |
|---|---|
| Name | 4-(4-Fluorophenyl)-N-phenyl-1-piperazinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.120546929 u |
| Formula | C17H18FN3S |
| InChI | InChI=1S/C17H18FN3S/c18-14-6-8-16(9-7-14)20-10-12-21(13-11-20)17(22)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22) |
| InChIKey | KNLMVWCNSDJVJP-UHFFFAOYSA-N |
| Molecular Weight | 315.410 g/mol |
| SMILES | N(C(N1CCN(CC1)C1=CC=C(C=C1)F)=S)C=1C=CC=CC1 |