| SpectraBase Compound ID | 9Pozr19ODgy |
|---|---|
| InChI | InChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18) |
| InChIKey | RJZBINCECOVLGV-UHFFFAOYSA-N |
| Mol Weight | 257.35 g/mol |
| Molecular Formula | C14H15N3S |
| Exact Mass | 257.098669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBBzgnomh2c |
|---|---|
| Name | 1-(2,3-Dimethyl-phenyl)-3-pyridin-2-yl-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.098668669 u |
| Formula | C14H15N3S |
| InChI | InChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18) |
| InChIKey | RJZBINCECOVLGV-UHFFFAOYSA-N |
| Molecular Weight | 257.355 g/mol |
| SMILES | C(NC1=CC=CC(C)=C1C)(=S)NC=1N=CC=CC1 |