| SpectraBase Compound ID | 4Y0BH5nl8Pn |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-3-6-13(16)14(9-10-15)12-8-5-4-7-11(12)2/h3-8,15H,9-10H2,1-2H3/b6-3- |
| InChIKey | ZLRIPWCUNXOJGP-UTCJRWHESA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97a1BmCpPp0 |
|---|---|
| Name | Crotamiton-m (ho-ethyl-) (cis) P465 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-3-6-13(16)14(9-10-15)12-8-5-4-7-11(12)2/h3-8,15H,9-10H2,1-2H3/b6-3- |
| InChIKey | ZLRIPWCUNXOJGP-UTCJRWHESA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C=1C=CC(N(C(\C=C/C)=O)CCO)=C(C)C1 |