| SpectraBase Compound ID | 2jTPoE19ZBU |
|---|---|
| InChI | InChI=1S/C13H17BrO3/c1-16-11-6-8-12(9-7-11)17-13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3 |
| InChIKey | JSVXNJVKIMSPGN-UHFFFAOYSA-N |
| Mol Weight | 301.18 g/mol |
| Molecular Formula | C13H17BrO3 |
| Exact Mass | 300.036107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oSi8JyuO9Y |
|---|---|
| Name | 6-Bromohexanoic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.036107404 u |
| Formula | C13H17BrO3 |
| InChI | InChI=1S/C13H17BrO3/c1-16-11-6-8-12(9-7-11)17-13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3 |
| InChIKey | JSVXNJVKIMSPGN-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(OC(CCCCCBr)=O)C=C1 |