![Methyl 2-[4-(bromomethyl)phenyl]benzoate](/api/spectrum/JoBTeCyShHl/structure.png?h=300&w=458 "Methyl 2-[4-(bromomethyl)phenyl]benzoate")
| SpectraBase Compound ID | 9P8QWdQacGr |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3 |
| InChIKey | RMXGTMRDXKUUDJ-UHFFFAOYSA-N |
| Mol Weight | 305.17 g/mol |
| Molecular Formula | C15H13BrO2 |
| Exact Mass | 304.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoBTeCyShHl |
|---|---|
| Name | Methyl 2-[4-(bromomethyl)phenyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.009892657 u |
| Formula | C15H13BrO2 |
| InChI | InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3 |
| InChIKey | RMXGTMRDXKUUDJ-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1=CC(=CC=C1C=1C=CC=CC1C(OC)=O)CBr |