| SpectraBase Compound ID | HAqYLK6CkWK |
|---|---|
| InChI | InChI=1S/C17H17FN2S/c18-14-7-4-8-15(11-14)19-16(21)20-17(9-10-17)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,19,20,21) |
| InChIKey | NGMUFXJHXQIEMR-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H17FN2S |
| Exact Mass | 300.109648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Banwmi35Io1 |
|---|---|
| Name | 1-(1-Benzylcyclopropyl)-3-(m-fluorophenyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.109647892 u |
| Formula | C17H17FN2S |
| InChI | InChI=1S/C17H17FN2S/c18-14-7-4-8-15(11-14)19-16(21)20-17(9-10-17)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,19,20,21) |
| InChIKey | NGMUFXJHXQIEMR-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | N(C1=CC=CC(=C1)F)C(NC1(CC1)CC=1C=CC=CC1)=S |