| SpectraBase Compound ID | HGx1qy89aBn |
|---|---|
| InChI | InChI=1S/C18H16Cl2O3/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-7,9-10,21H,8H2,1-2H3 |
| InChIKey | RHKPGIBQSRHTSC-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 | Brts7swOteQ |
|---|---|
| Name | Dichlorophen, o-(3-methylbut-2-enoyl)- |
| 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/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-7,9-10,21H,8H2,1-2H3 |
| InChIKey | RHKPGIBQSRHTSC-UHFFFAOYSA-N |
| Molecular Weight | 351.229 g/mol |
| SMILES | C(C=C(C)C)(=O)OC1=C(C=C(C=C1)Cl)CC1=CC(=CC=C1O)Cl |