| SpectraBase Compound ID | J9E4pppbtjU |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c1-10-7-11(2)9-12(8-10)18-15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3 |
| InChIKey | KOTWQNAVUIRSOR-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 | C1KP1AwWBJt |
|---|---|
| Name | 2-Bromobenzoic acid, 3,5-dimethylphenyl ester |
| 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/c1-10-7-11(2)9-12(8-10)18-15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3 |
| InChIKey | KOTWQNAVUIRSOR-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC1=CC(C)=CC(C)=C1)=O)Br |