| SpectraBase Compound ID | 48IJhfsq1Pt |
|---|---|
| InChI | InChI=1S/C19H34ClNO3/c1-3-4-5-6-7-8-9-10-15-24-19(23)17-11-13-21(14-12-17)18(22)16(2)20/h16-17H,3-15H2,1-2H3 |
| InChIKey | IEQVDOTZFLREMU-UHFFFAOYSA-N |
| Mol Weight | 359.9 g/mol |
| Molecular Formula | C19H34ClNO3 |
| Exact Mass | 359.222722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEVppAQ1PUa |
|---|---|
| Name | Isonipecotic acid, N-(2-chloropropionyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.222721656 u |
| Formula | C19H34ClNO3 |
| InChI | InChI=1S/C19H34ClNO3/c1-3-4-5-6-7-8-9-10-15-24-19(23)17-11-13-21(14-12-17)18(22)16(2)20/h16-17H,3-15H2,1-2H3 |
| InChIKey | IEQVDOTZFLREMU-UHFFFAOYSA-N |
| Molecular Weight | 359.938 g/mol |
| SMILES | CCCCCCCCCCOC(C1CCN(C(=O)C(C)Cl)CC1)=O |