| SpectraBase Compound ID | EaLE7Mf5inn |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c1-11-7-4-5-8-12(11)16-13(15)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10H2,1H3 |
| InChIKey | XGRVNLRZKIYOGE-UHFFFAOYSA-N |
| Mol Weight | 285.18 g/mol |
| Molecular Formula | C13H17BrO2 |
| Exact Mass | 284.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hzx7R6Z8bjk |
|---|---|
| Name | 6-Bromohexanoic acid, 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.041192785 u |
| Formula | C13H17BrO2 |
| InChI | InChI=1S/C13H17BrO2/c1-11-7-4-5-8-12(11)16-13(15)9-3-2-6-10-14/h4-5,7-8H,2-3,6,9-10H2,1H3 |
| InChIKey | XGRVNLRZKIYOGE-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCC(=O)OC1=C(C=CC=C1)C |