| SpectraBase Compound ID | IY5MTTeaxNC |
|---|---|
| InChI | InChI=1S/C14H17BrO2/c1-10(11-4-2-3-5-11)17-14(16)12-6-8-13(15)9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | KYJOFKHGOFJGTR-UHFFFAOYSA-N |
| Mol Weight | 297.19 g/mol |
| Molecular Formula | C14H17BrO2 |
| Exact Mass | 296.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kkZjwmmOEi |
|---|---|
| Name | 4-Bromobenzoic acid, 1-cyclopentylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.041192785 u |
| Formula | C14H17BrO2 |
| InChI | InChI=1S/C14H17BrO2/c1-10(11-4-2-3-5-11)17-14(16)12-6-8-13(15)9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | KYJOFKHGOFJGTR-UHFFFAOYSA-N |
| SMILES | C1C(CCC1)C(OC(C=1C=CC(Br)=CC1)=O)C |