| SpectraBase Compound ID | B0jr2vH5Lu7 |
|---|---|
| InChI | InChI=1S/C13H20ClNO2/c1-10(15-7-3-6-14)8-11-4-5-12(16)13(9-11)17-2/h4-5,9-10,15-16H,3,6-8H2,1-2H3 |
| InChIKey | TUFOMNCJDUPPPJ-UHFFFAOYSA-N |
| Mol Weight | 257.76 g/mol |
| Molecular Formula | C13H20ClNO2 |
| Exact Mass | 257.118257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQC405CJ2jg |
|---|---|
| Name | Mefenorex-m (ho-methoxy-) P642 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.118256586 u |
| Formula | C13H20ClNO2 |
| InChI | InChI=1S/C13H20ClNO2/c1-10(15-7-3-6-14)8-11-4-5-12(16)13(9-11)17-2/h4-5,9-10,15-16H,3,6-8H2,1-2H3 |
| InChIKey | TUFOMNCJDUPPPJ-UHFFFAOYSA-N |
| Molecular Weight | 257.761 g/mol |
| SMILES | C=1C(=CC(OC)=C(C1)O)CC(C)NCCCCl |