| SpectraBase Compound ID | 4o0Z3xVQeSK |
|---|---|
| InChI | InChI=1S/C20H36ClNO3/c1-2-3-4-5-6-7-8-9-10-17-25-20(24)18-12-15-22(16-13-18)19(23)11-14-21/h18H,2-17H2,1H3 |
| InChIKey | TZESQTHBSMGXRE-UHFFFAOYSA-N |
| Mol Weight | 374.0 g/mol |
| Molecular Formula | C20H36ClNO3 |
| Exact Mass | 373.238372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H82v010SWUc |
|---|---|
| Name | Isonipecotic acid, N-(3-chloropropionyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.238371720 u |
| Formula | C20H36ClNO3 |
| InChI | InChI=1S/C20H36ClNO3/c1-2-3-4-5-6-7-8-9-10-17-25-20(24)18-12-15-22(16-13-18)19(23)11-14-21/h18H,2-17H2,1H3 |
| InChIKey | TZESQTHBSMGXRE-UHFFFAOYSA-N |
| Molecular Weight | 373.965 g/mol |
| SMILES | CCCCCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O |