| SpectraBase Compound ID | 2781AzWhYyC |
|---|---|
| InChI | InChI=1S/C16H20ClNO3/c1-2-3-11-21-16(20)14-5-4-10-18(14)15(19)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3 |
| InChIKey | ZDLGITXTBYNVQA-UHFFFAOYSA-N |
| Mol Weight | 309.79 g/mol |
| Molecular Formula | C16H20ClNO3 |
| Exact Mass | 309.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33TI7WBIv72 |
|---|---|
| Name | L-Proline, N-(4-chlorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.113171205 u |
| Formula | C16H20ClNO3 |
| InChI | InChI=1S/C16H20ClNO3/c1-2-3-11-21-16(20)14-5-4-10-18(14)15(19)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3 |
| InChIKey | ZDLGITXTBYNVQA-UHFFFAOYSA-N |
| Molecular Weight | 309.793 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)Cl)CC1)C(=O)OCCCC |