| SpectraBase Compound ID | 50frUM38XUi |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)/b9-8+ |
| InChIKey | DICSSQAPXZJSNY-CMDGGOBGSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0zy4Tjbu9g |
|---|---|
| Name | Crotamiton-m (hooc-) P522 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c1-3-14(12(15)8-9-13(16)17)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,16,17)/b9-8+ |
| InChIKey | DICSSQAPXZJSNY-CMDGGOBGSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C(N(CC)C1=C(C)C=CC=C1)(\C=C\C(=O)O)=O |