| SpectraBase Compound ID | H4zY5InUCxr |
|---|---|
| InChI | InChI=1S/C17H22BrNO3/c1-2-3-4-11-22-17(21)15-9-6-10-19(15)16(20)13-7-5-8-14(18)12-13/h5,7-8,12,15H,2-4,6,9-11H2,1H3 |
| InChIKey | KMIYYWAFOLFZSG-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 | 57R2bEpK6Wl |
|---|---|
| Name | L-Proline, N-(3-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/c1-2-3-4-11-22-17(21)15-9-6-10-19(15)16(20)13-7-5-8-14(18)12-13/h5,7-8,12,15H,2-4,6,9-11H2,1H3 |
| InChIKey | KMIYYWAFOLFZSG-UHFFFAOYSA-N |
| Molecular Weight | 368.271 g/mol |
| SMILES | C1C(N(C(=O)C2=CC(=CC=C2)Br)CC1)C(=O)OCCCCC |