| SpectraBase Compound ID | J4bgV5ZQLSD |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-3-4-11-18(21)23-16-9-6-10-17(13-16)24-19(22)14-7-5-8-15(20)12-14/h5-10,12-13H,2-4,11H2,1H3 |
| InChIKey | HONOUSKDLVGAHV-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 | wez5t2DqTb |
|---|---|
| Name | 1,3-Benzenediol, o-(3-bromobenzoyl)-o'-hexanoyl- |
| 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/c1-2-3-4-11-18(21)23-16-9-6-10-17(13-16)24-19(22)14-7-5-8-15(20)12-14/h5-10,12-13H,2-4,11H2,1H3 |
| InChIKey | HONOUSKDLVGAHV-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)CCCCC)OC(C1=CC=CC(=C1)Br)=O |