| SpectraBase Compound ID | 30TorMr6kT5 |
|---|---|
| InChI | InChI=1S/C14H16ClNO3/c1-2-19-14(18)12-4-3-9-16(12)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3 |
| InChIKey | JSFFSEZTGFQFHU-UHFFFAOYSA-N |
| Mol Weight | 281.74 g/mol |
| Molecular Formula | C14H16ClNO3 |
| Exact Mass | 281.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39Yuj9Yjcx3 |
|---|---|
| Name | L-Proline, N-(4-chlorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.081871076 u |
| Formula | C14H16ClNO3 |
| InChI | InChI=1S/C14H16ClNO3/c1-2-19-14(18)12-4-3-9-16(12)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3 |
| InChIKey | JSFFSEZTGFQFHU-UHFFFAOYSA-N |
| Molecular Weight | 281.739 g/mol |
| SMILES | C1(CCCN1C(=O)C1=CC=C(C=C1)Cl)C(=O)OCC |