![1-[2-(4-Pyridyl)ethyl]-2-thio-3-(2,4-xylyl)urea](/api/spectrum/KYsKFHPJ8IH/structure.png?h=300&w=458 "1-[2-(4-Pyridyl)ethyl]-2-thio-3-(2,4-xylyl)urea")
| SpectraBase Compound ID | 57CFBVRxNwG |
|---|---|
| InChI | InChI=1S/C16H19N3S/c1-12-3-4-15(13(2)11-12)19-16(20)18-10-7-14-5-8-17-9-6-14/h3-6,8-9,11H,7,10H2,1-2H3,(H2,18,19,20) |
| InChIKey | RGJVTKNAZCBMON-UHFFFAOYSA-N |
| Mol Weight | 285.41 g/mol |
| Molecular Formula | C16H19N3S |
| Exact Mass | 285.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYsKFHPJ8IH |
|---|---|
| Name | 1-[2-(4-Pyridyl)ethyl]-2-thio-3-(2,4-xylyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.129968798 u |
| Formula | C16H19N3S |
| InChI | InChI=1S/C16H19N3S/c1-12-3-4-15(13(2)11-12)19-16(20)18-10-7-14-5-8-17-9-6-14/h3-6,8-9,11H,7,10H2,1-2H3,(H2,18,19,20) |
| InChIKey | RGJVTKNAZCBMON-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1C)C)C(NCCC=1C=CN=CC1)=S |