| SpectraBase Compound ID | 44iu8nE36pk |
|---|---|
| InChI | InChI=1S/C19H19BrCl2O3/c20-9-3-1-2-4-19(24)25-18-8-6-16(22)12-14(18)10-13-11-15(21)5-7-17(13)23/h5-8,11-12,23H,1-4,9-10H2 |
| InChIKey | DIHIWNGGTNTBLI-UHFFFAOYSA-N |
| Mol Weight | 446.17 g/mol |
| Molecular Formula | C19H19BrCl2O3 |
| Exact Mass | 443.989463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2dmUnbBbkp |
|---|---|
| Name | Dichlorophen, o-(6-bromohexanoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.989462869 u |
| Formula | C19H19BrCl2O3 |
| InChI | InChI=1S/C19H19BrCl2O3/c20-9-3-1-2-4-19(24)25-18-8-6-16(22)12-14(18)10-13-11-15(21)5-7-17(13)23/h5-8,11-12,23H,1-4,9-10H2 |
| InChIKey | DIHIWNGGTNTBLI-UHFFFAOYSA-N |
| Molecular Weight | 446.168 g/mol |
| SMILES | C1(=CC=C(C(=C1)CC1=C(C=CC(=C1)Cl)O)OC(=O)CCCCCBr)Cl |