| SpectraBase Compound ID | C5VKchVOO62 |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/c1-3-17-12(16)8(2)14-11(15)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15) |
| InChIKey | WXSHZXAOQYNHBY-UHFFFAOYSA-N |
| Mol Weight | 300.15 g/mol |
| Molecular Formula | C12H14BrNO3 |
| Exact Mass | 299.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BreEemiXIx |
|---|---|
| Name | L-Alanine, N-(2-bromobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.015706312 u |
| Formula | C12H14BrNO3 |
| InChI | InChI=1S/C12H14BrNO3/c1-3-17-12(16)8(2)14-11(15)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15) |
| InChIKey | WXSHZXAOQYNHBY-UHFFFAOYSA-N |
| Molecular Weight | 300.152 g/mol |
| SMILES | C1=CC=CC(=C1C(NC(C)C(OCC)=O)=O)Br |