| SpectraBase Compound ID | 6Wk45le0ROb |
|---|---|
| InChI | InChI=1S/C13H12FN3S/c14-10-4-6-11(7-5-10)17-13(18)16-9-12-3-1-2-8-15-12/h1-8H,9H2,(H2,16,17,18) |
| InChIKey | HBUFWQVISOCXCM-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C13H12FN3S |
| Exact Mass | 261.073597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vcGCHUAgse |
|---|---|
| Name | N-(4-Fluorophenyl)-N'-(2-pyridinylmethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.073596735 u |
| Formula | C13H12FN3S |
| InChI | InChI=1S/C13H12FN3S/c14-10-4-6-11(7-5-10)17-13(18)16-9-12-3-1-2-8-15-12/h1-8H,9H2,(H2,16,17,18) |
| InChIKey | HBUFWQVISOCXCM-UHFFFAOYSA-N |
| Molecular Weight | 261.318 g/mol |
| SMILES | N(C(=S)NCC=1N=CC=CC1)C=1C=CC(=CC1)F |