| SpectraBase Compound ID | JmRdvLlaVen |
|---|---|
| InChI | InChI=1S/C12H13ClN2O2/c1-7-2-3-9(6-10(7)13)15-12(17)11(16)14-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | PUXQFVDJWCZBNK-UHFFFAOYSA-N |
| Mol Weight | 252.7 g/mol |
| Molecular Formula | C12H13ClN2O2 |
| Exact Mass | 252.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IpFdaKi7DJ |
|---|---|
| Name | N~1~-(3-Chloro-4-methylphenyl)-N~2~-cyclopropylethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.066555365 u |
| Formula | C12H13ClN2O2 |
| InChI | InChI=1S/C12H13ClN2O2/c1-7-2-3-9(6-10(7)13)15-12(17)11(16)14-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H,14,16)(H,15,17) |
| InChIKey | PUXQFVDJWCZBNK-UHFFFAOYSA-N |
| Molecular Weight | 252.701 g/mol |
| SMILES | N(C(C(NC1CC1)=O)=O)C=1C=C(Cl)C(=CC1)C |