| SpectraBase Compound ID | 2OHUnYgufan |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | IIAGXYNIYGMAGN-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 | 2jWluslgMBC |
|---|---|
| Name | 3-Bromobenzoic acid, 2-methylpropyl 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)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | IIAGXYNIYGMAGN-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C1=CC(C(OCC(C)C)=O)=CC(=C1)Br |