| SpectraBase Compound ID | 5em2992JfNq |
|---|---|
| InChI | InChI=1S/C12H13ClN2O/c1-3-4-9-15(2)12(16)14-11-7-5-10(13)6-8-11/h1,5-8H,4,9H2,2H3,(H,14,16) |
| InChIKey | YXAIDEIOAVTHKF-UHFFFAOYSA-N |
| Mol Weight | 236.7 g/mol |
| Molecular Formula | C12H13ClN2O |
| Exact Mass | 236.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZhsnuhBVVq |
|---|---|
| Name | Urea, N-3-butynyl-N'-(4-chlorophenyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.071640746 u |
| Formula | C12H13ClN2O |
| InChI | InChI=1S/C12H13ClN2O/c1-3-4-9-15(2)12(16)14-11-7-5-10(13)6-8-11/h1,5-8H,4,9H2,2H3,(H,14,16) |
| InChIKey | YXAIDEIOAVTHKF-UHFFFAOYSA-N |
| Molecular Weight | 236.702 g/mol |
| SMILES | C(NC1=CC=C(C=C1)Cl)(N(CCC#C)C)=O |