| SpectraBase Compound ID | 6ApX5g9y6aA |
|---|---|
| InChI | InChI=1S/C17H30ClNO3/c1-2-3-4-5-6-7-14-22-17(21)15-9-12-19(13-10-15)16(20)8-11-18/h15H,2-14H2,1H3 |
| InChIKey | SADFOFJGMHTUHP-UHFFFAOYSA-N |
| Mol Weight | 331.88 g/mol |
| Molecular Formula | C17H30ClNO3 |
| Exact Mass | 331.191422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnNI40DUAKT |
|---|---|
| Name | Isonipecotic acid, N-(3-chloropropionyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.191421527 u |
| Formula | C17H30ClNO3 |
| InChI | InChI=1S/C17H30ClNO3/c1-2-3-4-5-6-7-14-22-17(21)15-9-12-19(13-10-15)16(20)8-11-18/h15H,2-14H2,1H3 |
| InChIKey | SADFOFJGMHTUHP-UHFFFAOYSA-N |
| Molecular Weight | 331.884 g/mol |
| SMILES | CCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O |