| SpectraBase Compound ID | 3no8mg34eNq |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-9-6-10(2)8-11(7-9)15-12(14)4-3-5-13/h6-8H,3-5H2,1-2H3 |
| InChIKey | AQZLOSMCHRIGGX-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9sIj19WKv7 |
|---|---|
| Name | 4-Bromobutyric acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-9-6-10(2)8-11(7-9)15-12(14)4-3-5-13/h6-8H,3-5H2,1-2H3 |
| InChIKey | AQZLOSMCHRIGGX-UHFFFAOYSA-N |
| SMILES | CC1=CC(OC(CCCBr)=O)=CC(C)=C1 |