| SpectraBase Compound ID | Hpx90r2tUjL |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c12-10-7-3-1-5-9(10)6-2-4-8-11(13)14/h1,3,5,7H,2,4,6,8H2,(H,13,14) |
| InChIKey | XNVQNBLQKRZHEW-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 | IotBnlJ2nLf |
|---|---|
| Name | 5-(2-Bromophenyl)pentanoic acid |
| 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/c12-10-7-3-1-5-9(10)6-2-4-8-11(13)14/h1,3,5,7H,2,4,6,8H2,(H,13,14) |
| InChIKey | XNVQNBLQKRZHEW-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C(=O)(O)CCCCC=1C(Br)=CC=CC1 |