| SpectraBase Compound ID | Itf0vKhOYMV |
|---|---|
| InChI | InChI=1S/C15H26ClNO3/c1-3-4-5-6-11-20-15(19)13-7-9-17(10-8-13)14(18)12(2)16/h12-13H,3-11H2,1-2H3 |
| InChIKey | HCVCAWNZUOXROK-UHFFFAOYSA-N |
| Mol Weight | 303.83 g/mol |
| Molecular Formula | C15H26ClNO3 |
| Exact Mass | 303.160121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3E2x2YNlYnx |
|---|---|
| Name | Isonipecotic acid, N-(2-chloropropionyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.160121398 u |
| Formula | C15H26ClNO3 |
| InChI | InChI=1S/C15H26ClNO3/c1-3-4-5-6-11-20-15(19)13-7-9-17(10-8-13)14(18)12(2)16/h12-13H,3-11H2,1-2H3 |
| InChIKey | HCVCAWNZUOXROK-UHFFFAOYSA-N |
| Molecular Weight | 303.830 g/mol |
| SMILES | CCCCCCOC(C1CCN(C(=O)C(C)Cl)CC1)=O |