| SpectraBase Compound ID | 1Ha5XWULRWl |
|---|---|
| InChI | InChI=1S/C10H10Br2O2/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5-7H2 |
| InChIKey | GJKPFQDIBYZMFG-UHFFFAOYSA-N |
| Mol Weight | 322.0 g/mol |
| Molecular Formula | C10H10Br2O2 |
| Exact Mass | 319.904756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmHgyXIMv2o |
|---|---|
| Name | Benzoic acid, 4-(bromomethyl)-, 2-bromoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.904755560 u |
| Formula | C10H10Br2O2 |
| InChI | InChI=1S/C10H10Br2O2/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5-7H2 |
| InChIKey | GJKPFQDIBYZMFG-UHFFFAOYSA-N |
| Molecular Weight | 321.996 g/mol |
| SMILES | C(Br)COC(=O)C1=CC=C(C=C1)CBr |