| SpectraBase Compound ID | ELIh2NAvvsf |
|---|---|
| InChI | InChI=1S/C19H34ClNO3/c1-2-3-4-5-6-7-8-9-16-24-19(23)17-11-14-21(15-12-17)18(22)10-13-20/h17H,2-16H2,1H3 |
| InChIKey | GTFRIZHRPVYTCX-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 | G38BXSrSI19 |
|---|---|
| Name | Isonipecotic acid, N-(3-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/c1-2-3-4-5-6-7-8-9-16-24-19(23)17-11-14-21(15-12-17)18(22)10-13-20/h17H,2-16H2,1H3 |
| InChIKey | GTFRIZHRPVYTCX-UHFFFAOYSA-N |
| Molecular Weight | 359.938 g/mol |
| SMILES | CCCCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O |