| SpectraBase Compound ID | Lri4yJqNYuM |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/c1-2-17-11(15)7-8-14-12(16)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16) |
| InChIKey | ZMKVTXPMZTTWAM-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 | GzkaboFcUU8 |
|---|---|
| Name | .beta.-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/c1-2-17-11(15)7-8-14-12(16)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16) |
| InChIKey | ZMKVTXPMZTTWAM-UHFFFAOYSA-N |
| Molecular Weight | 300.152 g/mol |
| SMILES | C1=CC=CC(=C1C(NCCC(OCC)=O)=O)Br |