| SpectraBase Compound ID | 76MVNSGPOIS |
|---|---|
| InChI | InChI=1S/C14H16BrNO3/c1-2-19-14(18)12-7-4-8-16(12)13(17)10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3 |
| InChIKey | FZOZQNZYJHJQDL-UHFFFAOYSA-N |
| Mol Weight | 326.19 g/mol |
| Molecular Formula | C14H16BrNO3 |
| Exact Mass | 325.031356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KlPuSWGPaox |
|---|---|
| Name | L-Proline, N-(3-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)12-7-4-8-16(12)13(17)10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3 |
| InChIKey | FZOZQNZYJHJQDL-UHFFFAOYSA-N |
| Molecular Weight | 326.190 g/mol |
| SMILES | C1(CCCN1C(=O)C1=CC=CC(=C1)Br)C(=O)OCC |