| SpectraBase Compound ID | 3jZVdNAaBcs |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-3-4-5-9-20-15(19)11(2)17-14(18)12-7-6-8-13(16)10-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,18) |
| InChIKey | DGOBNMMCNSIIGZ-UHFFFAOYSA-N |
| Mol Weight | 342.23 g/mol |
| Molecular Formula | C15H20BrNO3 |
| Exact Mass | 341.062657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 991B0d8yfKu |
|---|---|
| Name | L-Alanine, N-(3-bromobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.062656505 u |
| Formula | C15H20BrNO3 |
| InChI | InChI=1S/C15H20BrNO3/c1-3-4-5-9-20-15(19)11(2)17-14(18)12-7-6-8-13(16)10-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,18) |
| InChIKey | DGOBNMMCNSIIGZ-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C)C(OCCCCC)=O)=O)Br |