| SpectraBase Compound ID | JPhli9FJrn1 |
|---|---|
| InChI | InChI=1S/C12H15BrO3/c1-15-10-5-7-11(8-6-10)16-12(14)4-2-3-9-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | SGXORFYTHBWRII-UHFFFAOYSA-N |
| Mol Weight | 287.15 g/mol |
| Molecular Formula | C12H15BrO3 |
| Exact Mass | 286.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEuvC1fxbVA |
|---|---|
| Name | 5-Bromovaleric acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.020457340 u |
| Formula | C12H15BrO3 |
| InChI | InChI=1S/C12H15BrO3/c1-15-10-5-7-11(8-6-10)16-12(14)4-2-3-9-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | SGXORFYTHBWRII-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(OC(CCCCBr)=O)C=C1 |