| SpectraBase Compound ID | JAumcVrsiMP |
|---|---|
| InChI | InChI=1S/C13H22BrNO3/c1-2-10-18-13(17)11-6-5-9-15(11)12(16)7-3-4-8-14/h11H,2-10H2,1H3 |
| InChIKey | MVWRYPUMLGPQAQ-UHFFFAOYSA-N |
| Mol Weight | 320.23 g/mol |
| Molecular Formula | C13H22BrNO3 |
| Exact Mass | 319.078307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsgqzLJzKMR |
|---|---|
| Name | L-Proline, N-(5-bromovaleryl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.078306569 u |
| Formula | C13H22BrNO3 |
| InChI | InChI=1S/C13H22BrNO3/c1-2-10-18-13(17)11-6-5-9-15(11)12(16)7-3-4-8-14/h11H,2-10H2,1H3 |
| InChIKey | MVWRYPUMLGPQAQ-UHFFFAOYSA-N |
| Molecular Weight | 320.227 g/mol |
| SMILES | C(N1CCCC1C(=O)OCCC)(=O)CCCCBr |