| SpectraBase Compound ID | 7apopb4qtXc |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c1-2-16-13(15)12-8-6-11(7-9-12)5-3-4-10-14/h6-9H,2-5,10H2,1H3 |
| InChIKey | NBBVKVJVUYWHPM-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 | ElQUAXrxrHU |
|---|---|
| Name | Benzoic acid, 4-(4-bromobutyl)-, ethyl 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/c1-2-16-13(15)12-8-6-11(7-9-12)5-3-4-10-14/h6-9H,2-5,10H2,1H3 |
| InChIKey | NBBVKVJVUYWHPM-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)CCCCBr |