| SpectraBase Compound ID | 5aI179UVQc7 |
|---|---|
| InChI | InChI=1S/C8H16ClNO/c1-7(2)4-6-10-8(11)3-5-9/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | DVJGSCYTBZSVDC-UHFFFAOYSA-N |
| Mol Weight | 177.67 g/mol |
| Molecular Formula | C8H16ClNO |
| Exact Mass | 177.092042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ykQBTdch5l |
|---|---|
| Name | Propionamide, 3-chloro-N-3-methylbutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.092041838 u |
| Formula | C8H16ClNO |
| InChI | InChI=1S/C8H16ClNO/c1-7(2)4-6-10-8(11)3-5-9/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | DVJGSCYTBZSVDC-UHFFFAOYSA-N |
| Molecular Weight | 177.675 g/mol |
| SMILES | C(CCCl)(NCCC(C)C)=O |