| SpectraBase Compound ID | DCKreDdhH18 |
|---|---|
| InChI | InChI=1S/C23H42ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-28-23(27)21-15-18-25(19-16-21)22(26)14-17-24/h21H,2-20H2,1H3 |
| InChIKey | TVMTXMCISXDFTF-UHFFFAOYSA-N |
| Mol Weight | 416.0 g/mol |
| Molecular Formula | C23H42ClNO3 |
| Exact Mass | 415.285322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLFOJ8r8HcY |
|---|---|
| Name | Isonipecotic acid, N-(3-chloropropionyl)-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.285321913 u |
| Formula | C23H42ClNO3 |
| InChI | InChI=1S/C23H42ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-28-23(27)21-15-18-25(19-16-21)22(26)14-17-24/h21H,2-20H2,1H3 |
| InChIKey | TVMTXMCISXDFTF-UHFFFAOYSA-N |
| Molecular Weight | 416.046 g/mol |
| SMILES | CCCCCCCCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O |