| SpectraBase Compound ID | 8lL7WN6YJkb |
|---|---|
| InChI | InChI=1S/C15H26ClNO3/c1-2-3-12-20-15(19)13-7-10-17(11-8-13)14(18)6-4-5-9-16/h13H,2-12H2,1H3 |
| InChIKey | CQQGLUPSZNHMQD-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 | EV23lZk1Xtt |
|---|---|
| Name | Isonipecotic acid, N-(5-chlorovaleryl)-, butyl 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/c1-2-3-12-20-15(19)13-7-10-17(11-8-13)14(18)6-4-5-9-16/h13H,2-12H2,1H3 |
| InChIKey | CQQGLUPSZNHMQD-UHFFFAOYSA-N |
| Molecular Weight | 303.830 g/mol |
| SMILES | CCCCOC(C1CCN(C(=O)CCCCCl)CC1)=O |