| SpectraBase Compound ID | 9g9cPFr4NTc |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-3-4-8-18(21)23-16-6-5-7-17(13-16)24-19(22)14-9-11-15(20)12-10-14/h5-7,9-13H,2-4,8H2,1H3 |
| InChIKey | UOAOWHBKAXGRDJ-UHFFFAOYSA-N |
| Mol Weight | 391.26 g/mol |
| Molecular Formula | C19H19BrO4 |
| Exact Mass | 390.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gvn52hFnibs |
|---|---|
| Name | 1,3-Benzenediol, o-(4-bromobenzoyl)-o'-caproyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.046672088 u |
| Formula | C19H19BrO4 |
| InChI | InChI=1S/C19H19BrO4/c1-2-3-4-8-18(21)23-16-6-5-7-17(13-16)24-19(22)14-9-11-15(20)12-10-14/h5-7,9-13H,2-4,8H2,1H3 |
| InChIKey | UOAOWHBKAXGRDJ-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=C(C=C1)Br)=O)OC(=O)CCCCC |