| SpectraBase Compound ID | H1ZVJqgrKng |
|---|---|
| InChI | InChI=1S/C15H18BrNO3/c1-2-10-20-15(19)13-8-5-9-17(13)14(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3 |
| InChIKey | PFUPJDOVIRUJBX-UHFFFAOYSA-N |
| Mol Weight | 340.22 g/mol |
| Molecular Formula | C15H18BrNO3 |
| Exact Mass | 339.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55prmGNtQV4 |
|---|---|
| Name | L-Proline, N-(2-bromobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.047006441 u |
| Formula | C15H18BrNO3 |
| InChI | InChI=1S/C15H18BrNO3/c1-2-10-20-15(19)13-8-5-9-17(13)14(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3 |
| InChIKey | PFUPJDOVIRUJBX-UHFFFAOYSA-N |
| Molecular Weight | 340.217 g/mol |
| SMILES | C1(CCCN1C(=O)C=1C(Br)=CC=CC1)C(=O)OCCC |