| SpectraBase Compound ID | T6xcZ6CsvU |
|---|---|
| InChI | InChI=1S/C15H22ClNO3/c1-19-13-7-6-12(11-14(13)20-2)8-10-17-15(18)5-3-4-9-16/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,18) |
| InChIKey | HTKOYEWYBNJTAA-UHFFFAOYSA-N |
| Mol Weight | 299.8 g/mol |
| Molecular Formula | C15H22ClNO3 |
| Exact Mass | 299.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8Oyvzs45bh |
|---|---|
| Name | 5-Chlorovaleramide, N-(3,4-dimethoxyphenethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.128821269 u |
| Formula | C15H22ClNO3 |
| InChI | InChI=1S/C15H22ClNO3/c1-19-13-7-6-12(11-14(13)20-2)8-10-17-15(18)5-3-4-9-16/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,18) |
| InChIKey | HTKOYEWYBNJTAA-UHFFFAOYSA-N |
| Molecular Weight | 299.798 g/mol |
| SMILES | C(Cl)CCCC(=O)NCCC=1C=C(OC)C(OC)=CC1 |