| SpectraBase Compound ID | 7m40ZL48tZu |
|---|---|
| InChI | InChI=1S/C16H20BrNO3/c1-2-3-11-21-16(20)14-9-6-10-18(14)15(19)12-7-4-5-8-13(12)17/h4-5,7-8,14H,2-3,6,9-11H2,1H3 |
| InChIKey | YHXIGLVCTCBFQL-UHFFFAOYSA-N |
| Mol Weight | 354.24 g/mol |
| Molecular Formula | C16H20BrNO3 |
| Exact Mass | 353.062657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RTGpWrw9ho |
|---|---|
| Name | L-Proline, N-(2-bromobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.062656505 u |
| Formula | C16H20BrNO3 |
| InChI | InChI=1S/C16H20BrNO3/c1-2-3-11-21-16(20)14-9-6-10-18(14)15(19)12-7-4-5-8-13(12)17/h4-5,7-8,14H,2-3,6,9-11H2,1H3 |
| InChIKey | YHXIGLVCTCBFQL-UHFFFAOYSA-N |
| Molecular Weight | 354.244 g/mol |
| SMILES | C1C(N(C(=O)C2=C(C=CC=C2)Br)CC1)C(=O)OCCCC |