| SpectraBase Compound ID | JIOEi6Xdl9h |
|---|---|
| InChI | InChI=1S/C9H8Br2O2/c10-4-5-13-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2 |
| InChIKey | ODWFGRKZCDJDQY-UHFFFAOYSA-N |
| Mol Weight | 307.97 g/mol |
| Molecular Formula | C9H8Br2O2 |
| Exact Mass | 305.889105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOjsAvmYjx5 |
|---|---|
| Name | Benzoic acid, 3-bromo-, 2-bromoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.889105496 u |
| Formula | C9H8Br2O2 |
| InChI | InChI=1S/C9H8Br2O2/c10-4-5-13-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2 |
| InChIKey | ODWFGRKZCDJDQY-UHFFFAOYSA-N |
| Molecular Weight | 307.969 g/mol |
| SMILES | C1(Br)=CC(C(OCCBr)=O)=CC=C1 |