| SpectraBase Compound ID | AXba13yUxhK |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XAJNSDQWUNBKAB-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 | Cdl8YCh0IEU |
|---|---|
| Name | 2-Bromobenzoic acid, 3-methylbutyl 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(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XAJNSDQWUNBKAB-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)Br)C(=O)OCCC(C)C |