| SpectraBase Compound ID | Ib6yG6VMR8m |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6H,5H2 |
| InChIKey | BDQUNNRLSQQZHK-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wi3y3J76H4 |
|---|---|
| Name | Formic acid, (4-bromophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.962942463 u |
| Formula | C8H7BrO2 |
| InChI | InChI=1S/C8H7BrO2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6H,5H2 |
| InChIKey | BDQUNNRLSQQZHK-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | C1(=CC=C(C=C1)COC=O)Br |