| SpectraBase Compound ID | DGnxqzri0OZ |
|---|---|
| InChI | InChI=1S/C9H8Br2O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3 |
| InChIKey | ZFNOTEGYJUCJML-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 | BbHIhguh8JA |
|---|---|
| Name | Methyl 4-(dibromomethyl)benzoate |
| 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/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3 |
| InChIKey | ZFNOTEGYJUCJML-UHFFFAOYSA-N |
| Molecular Weight | 307.969 g/mol |
| SMILES | C(C=1C=CC(=CC1)C(Br)Br)(=O)OC |