| SpectraBase Compound ID | I23Aupt2QUk |
|---|---|
| InChI | InChI=1S/C18H16Cl2O3/c19-14-4-6-16(21)12(9-14)8-13-10-15(20)5-7-17(13)23-18(22)11-2-1-3-11/h4-7,9-11,21H,1-3,8H2 |
| InChIKey | RYAFQLCCJUNCNA-UHFFFAOYSA-N |
| Mol Weight | 351.23 g/mol |
| Molecular Formula | C18H16Cl2O3 |
| Exact Mass | 350.04765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjyiGS5pODh |
|---|---|
| Name | Dichlorophen, o-(cyclobutanecarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.047649772 u |
| Formula | C18H16Cl2O3 |
| InChI | InChI=1S/C18H16Cl2O3/c19-14-4-6-16(21)12(9-14)8-13-10-15(20)5-7-17(13)23-18(22)11-2-1-3-11/h4-7,9-11,21H,1-3,8H2 |
| InChIKey | RYAFQLCCJUNCNA-UHFFFAOYSA-N |
| Molecular Weight | 351.229 g/mol |
| SMILES | C(=O)(C1CCC1)OC1=C(C=C(C=C1)Cl)CC1=CC(=CC=C1O)Cl |