| SpectraBase Compound ID | 1Bc8Ss6Kd7O |
|---|---|
| InChI | InChI=1S/C16H20BrNO3/c1-11(2)10-21-16(20)14-8-5-9-18(14)15(19)12-6-3-4-7-13(12)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3 |
| InChIKey | WYDXBTXJLRPQEO-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 | 48x5zyZ7LTi |
|---|---|
| Name | L-Proline, N-(2-bromobenzoyl)-, isobutyl 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/c1-11(2)10-21-16(20)14-8-5-9-18(14)15(19)12-6-3-4-7-13(12)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3 |
| InChIKey | WYDXBTXJLRPQEO-UHFFFAOYSA-N |
| Molecular Weight | 354.244 g/mol |
| SMILES | C1C(N(C(=O)C2=C(C=CC=C2)Br)CC1)C(=O)OCC(C)C |