| SpectraBase Compound ID | AseQuOeFVyQ |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/c1-2-17-11(15)6-7-14-12(16)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,16) |
| InChIKey | NMGLDLCSHSHWHY-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 | BD8TVNGGlTk |
|---|---|
| Name | .beta.-Alanine, N-(3-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)6-7-14-12(16)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,16) |
| InChIKey | NMGLDLCSHSHWHY-UHFFFAOYSA-N |
| Molecular Weight | 300.152 g/mol |
| SMILES | C1(=CC=CC(=C1)C(NCCC(OCC)=O)=O)Br |