| SpectraBase Compound ID | 8EsAPWiyQz0 |
|---|---|
| InChI | InChI=1S/C14H19N3S/c1-4-17(9-5-8-15)14(18)16-13-7-6-11(2)12(3)10-13/h6-7,10H,4-5,9H2,1-3H3,(H,16,18) |
| InChIKey | WJRPVIDBQWUSKF-UHFFFAOYSA-N |
| Mol Weight | 261.39 g/mol |
| Molecular Formula | C14H19N3S |
| Exact Mass | 261.129969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oxAowf8XWd |
|---|---|
| Name | 1-(2-Cyanoethyl)-1-ethyl-2-thio-3-(3,4-xylyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.129968798 u |
| Formula | C14H19N3S |
| InChI | InChI=1S/C14H19N3S/c1-4-17(9-5-8-15)14(18)16-13-7-6-11(2)12(3)10-13/h6-7,10H,4-5,9H2,1-3H3,(H,16,18) |
| InChIKey | WJRPVIDBQWUSKF-UHFFFAOYSA-N |
| Molecular Weight | 261.387 g/mol |
| SMILES | N(C1=CC=C(C(=C1)C)C)C(N(CCC#N)CC)=S |