| SpectraBase Compound ID | H3iupaDHcGr |
|---|---|
| InChI | InChI=1S/C18H24ClNO3/c1-13(2)5-4-12-23-18(22)16-6-3-11-20(16)17(21)14-7-9-15(19)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3 |
| InChIKey | CCYBGFPWKNNXEG-UHFFFAOYSA-N |
| Mol Weight | 337.85 g/mol |
| Molecular Formula | C18H24ClNO3 |
| Exact Mass | 337.144471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RkKlKFElaI |
|---|---|
| Name | L-Proline, N-(4-chlorobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.144471334 u |
| Formula | C18H24ClNO3 |
| InChI | InChI=1S/C18H24ClNO3/c1-13(2)5-4-12-23-18(22)16-6-3-11-20(16)17(21)14-7-9-15(19)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3 |
| InChIKey | CCYBGFPWKNNXEG-UHFFFAOYSA-N |
| Molecular Weight | 337.847 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)Cl)CC1)C(=O)OCCCC(C)C |