![Ethyl 8-[(4-bromophenyl)methoxy]octanoate](/api/spectrum/40m9JrP7HKU/structure.png?h=300&w=458 "Ethyl 8-[(4-bromophenyl)methoxy]octanoate")
| SpectraBase Compound ID | L56zq7DqCb |
|---|---|
| InChI | InChI=1S/C17H25BrO3/c1-2-21-17(19)8-6-4-3-5-7-13-20-14-15-9-11-16(18)12-10-15/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | BKIWJNKHFBXTTP-UHFFFAOYSA-N |
| Mol Weight | 357.29 g/mol |
| Molecular Formula | C17H25BrO3 |
| Exact Mass | 356.098708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40m9JrP7HKU |
|---|---|
| Name | Ethyl 8-[(4-bromophenyl)methoxy]octanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.098707662 u |
| Formula | C17H25BrO3 |
| InChI | InChI=1S/C17H25BrO3/c1-2-21-17(19)8-6-4-3-5-7-13-20-14-15-9-11-16(18)12-10-15/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | BKIWJNKHFBXTTP-UHFFFAOYSA-N |
| Molecular Weight | 357.288 g/mol |
| SMILES | C=1(C=CC(Br)=CC1)COCCCCCCCC(OCC)=O |