| SpectraBase Compound ID | 5JYnGtT3WPy |
|---|---|
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-8-19-14(18)10(2)16-13(17)11-6-5-7-12(15)9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17) |
| InChIKey | WYZIJYGCHRRHCI-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 | 4VlkA2778NF |
|---|---|
| Name | L-Alanine, N-(3-bromobenzoyl)-, butyl 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/c1-3-4-8-19-14(18)10(2)16-13(17)11-6-5-7-12(15)9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17) |
| InChIKey | WYZIJYGCHRRHCI-UHFFFAOYSA-N |
| Molecular Weight | 328.206 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCCC)=O)C)=O)Br |