| SpectraBase Compound ID | Gp3V1kqNdP |
|---|---|
| InChI | InChI=1S/C11H14BrNO2/c1-13(2)6-7-15-11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | QPXNWXKQMZNRMI-UHFFFAOYSA-N |
| Mol Weight | 272.14 g/mol |
| Molecular Formula | C11H14BrNO2 |
| Exact Mass | 271.020792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FLfFVZaboQ |
|---|---|
| Name | 3-Bromobenzoic acid, 2-dimethylaminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.020791693 u |
| Formula | C11H14BrNO2 |
| InChI | InChI=1S/C11H14BrNO2/c1-13(2)6-7-15-11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | QPXNWXKQMZNRMI-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)Br)(=O)OCCN(C)C |