| SpectraBase Compound ID | DkAWoQ6JthH |
|---|---|
| InChI | InChI=1S/C6H11ClN2O2/c1-4(2)8-6(11)9-5(10)3-7/h4H,3H2,1-2H3,(H2,8,9,10,11) |
| InChIKey | VNNSRORYYYMSJR-UHFFFAOYSA-N |
| Mol Weight | 178.62 g/mol |
| Molecular Formula | C6H11ClN2O2 |
| Exact Mass | 178.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NyM4Ena312 |
|---|---|
| Name | 1-(2-Chloroacetyl)-3-isopropylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.050905300 u |
| Formula | C6H11ClN2O2 |
| InChI | InChI=1S/C6H11ClN2O2/c1-4(2)8-6(11)9-5(10)3-7/h4H,3H2,1-2H3,(H2,8,9,10,11) |
| InChIKey | VNNSRORYYYMSJR-UHFFFAOYSA-N |
| Molecular Weight | 178.619 g/mol |
| SMILES | C(Cl)C(=O)NC(=O)NC(C)C |