| SpectraBase Compound ID | 989pgESqJXA |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3 |
| InChIKey | RRQIRYOPPDMWPF-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jt1lD1HrTLU |
|---|---|
| Name | 2-(4-Bromophenyl)-2-hydroxyacetic acid, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.973507147 u |
| Formula | C9H9BrO3 |
| InChI | InChI=1S/C9H9BrO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3 |
| InChIKey | RRQIRYOPPDMWPF-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C(O)C(=O)OC |