| SpectraBase Compound ID | 1QfQjumXHNE |
|---|---|
| InChI | InChI=1S/C17H22BrNO3/c1-2-3-6-12-22-17(21)15-10-7-11-19(15)16(20)13-8-4-5-9-14(13)18/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3 |
| InChIKey | IDPUAYZDIYOEJO-UHFFFAOYSA-N |
| Mol Weight | 368.27 g/mol |
| Molecular Formula | C17H22BrNO3 |
| Exact Mass | 367.078307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6srzGr8VtIj |
|---|---|
| Name | L-Proline, N-(2-bromobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.078306569 u |
| Formula | C17H22BrNO3 |
| InChI | InChI=1S/C17H22BrNO3/c1-2-3-6-12-22-17(21)15-10-7-11-19(15)16(20)13-8-4-5-9-14(13)18/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3 |
| InChIKey | IDPUAYZDIYOEJO-UHFFFAOYSA-N |
| Molecular Weight | 368.271 g/mol |
| SMILES | C1(CCCN1C(=O)C1=C(C=CC=C1)Br)C(=O)OCCCCC |