| SpectraBase Compound ID | 5StVAFu6P1c |
|---|---|
| InChI | InChI=1S/C16H20BrNO3/c1-11(2)10-21-16(20)14-7-4-8-18(14)15(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3 |
| InChIKey | MEZXJFZFKLAFKD-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 | 7iCisdCuBq0 |
|---|---|
| Name | L-Proline, N-(3-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)14-7-4-8-18(14)15(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3 |
| InChIKey | MEZXJFZFKLAFKD-UHFFFAOYSA-N |
| Molecular Weight | 354.244 g/mol |
| SMILES | C1C(N(C(=O)C2=CC(=CC=C2)Br)CC1)C(=O)OCC(C)C |