| SpectraBase Compound ID | 3JSmPlJ1nQ0 |
|---|---|
| InChI | InChI=1S/C14H18BrNO3/c1-9(2)8-12(14(18)19-3)16-13(17)10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,16,17) |
| InChIKey | RIYQPKDTWIBZHR-UHFFFAOYSA-N |
| Mol Weight | 328.21 g/mol |
| Molecular Formula | C14H18BrNO3 |
| Exact Mass | 327.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54DHqZEhVTI |
|---|---|
| Name | L-Leucine, N-(4-bromobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.047006441 u |
| Formula | C14H18BrNO3 |
| InChI | InChI=1S/C14H18BrNO3/c1-9(2)8-12(14(18)19-3)16-13(17)10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,16,17) |
| InChIKey | RIYQPKDTWIBZHR-UHFFFAOYSA-N |
| Molecular Weight | 328.206 g/mol |
| SMILES | CC(C)CC(C(OC)=O)NC(=O)C1=CC=C(C=C1)Br |