| SpectraBase Compound ID | 4LbLQoNQRSj |
|---|---|
| InChI | InChI=1S/C13H18N2O/c1-10-8-9-11(2)15(10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11+ |
| InChIKey | XJPOOEMIUDHWSO-PHIMTYICSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C13H18N2O |
| Exact Mass | 218.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CU9YZqcPN7 |
|---|---|
| Name | Cisanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.141913207 u |
| Formula | C13H18N2O |
| InChI | InChI=1S/C13H18N2O/c1-10-8-9-11(2)15(10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11+ |
| InChIKey | XJPOOEMIUDHWSO-PHIMTYICSA-N |
| Molecular Weight | 218.300 g/mol |
| SMILES | N(C1=CC=CC=C1)C(N1[C@@](CC[C@@]1(C)[H])(C)[H])=O |