| SpectraBase Compound ID | HTr7ceUK3Ne |
|---|---|
| InChI | InChI=1S/C16H15BrO2/c17-11-14-8-6-13(7-9-14)10-16(18)19-12-15-4-2-1-3-5-15/h1-9H,10-12H2 |
| InChIKey | NULZSYVCOGJFJP-UHFFFAOYSA-N |
| Mol Weight | 319.2 g/mol |
| Molecular Formula | C16H15BrO2 |
| Exact Mass | 318.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bHQT3ArZhi |
|---|---|
| Name | 2-(4-Bromomethylphenyl)acetic acid benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.025542721 u |
| Formula | C16H15BrO2 |
| InChI | InChI=1S/C16H15BrO2/c17-11-14-8-6-13(7-9-14)10-16(18)19-12-15-4-2-1-3-5-15/h1-9H,10-12H2 |
| InChIKey | NULZSYVCOGJFJP-UHFFFAOYSA-N |
| Molecular Weight | 319.198 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)CC1=CC=C(C=C1)CBr |