| SpectraBase Compound ID | IKuuC2P4fH2 |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | NQPBBLSKHPOXEU-UHFFFAOYSA-N |
| Mol Weight | 257.13 g/mol |
| Molecular Formula | C11H13BrO2 |
| Exact Mass | 256.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58HCjgUNz7O |
|---|---|
| Name | 4-Bromobenzoic acid, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.009892657 u |
| Formula | C11H13BrO2 |
| InChI | InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | NQPBBLSKHPOXEU-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C(COC(C=1C=CC(=CC1)Br)=O)(C)C |