| SpectraBase Compound ID | 70R9dAAPz4I |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-4-20-15(19)13(9-10(2)3)17-14(18)11-7-5-6-8-12(11)16/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | HUXOWDHKWHOMNM-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 | IMbY6lT6JXR |
|---|---|
| Name | L-Leucine, N-(2-bromobenzoyl)-, ethyl 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/c1-4-20-15(19)13(9-10(2)3)17-14(18)11-7-5-6-8-12(11)16/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | HUXOWDHKWHOMNM-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C1=CC=CC(=C1C(NC(CC(C)C)C(OCC)=O)=O)Br |