| SpectraBase Compound ID | L8Sq91pKtWf |
|---|---|
| InChI | InChI=1S/C14H16BrNO3/c1-2-19-14(18)12-8-5-9-16(12)13(17)10-6-3-4-7-11(10)15/h3-4,6-7,12H,2,5,8-9H2,1H3 |
| InChIKey | PZZULNZJSRPJMA-UHFFFAOYSA-N |
| Mol Weight | 326.19 g/mol |
| Molecular Formula | C14H16BrNO3 |
| Exact Mass | 325.031356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0za66sFEzV |
|---|---|
| Name | L-Proline, N-(2-bromobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.031356376 u |
| Formula | C14H16BrNO3 |
| InChI | InChI=1S/C14H16BrNO3/c1-2-19-14(18)12-8-5-9-16(12)13(17)10-6-3-4-7-11(10)15/h3-4,6-7,12H,2,5,8-9H2,1H3 |
| InChIKey | PZZULNZJSRPJMA-UHFFFAOYSA-N |
| Molecular Weight | 326.190 g/mol |
| SMILES | C1(CCCN1C(=O)C1=CC=CC=C1Br)C(=O)OCC |