| SpectraBase Compound ID | GViHSRu6Y23 |
|---|---|
| InChI | InChI=1S/C18H18Cl2O3/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/h3-6,9-11,21H,7-8H2,1-2H3 |
| InChIKey | HQWCCOALJIAXON-UHFFFAOYSA-N |
| Mol Weight | 353.25 g/mol |
| Molecular Formula | C18H18Cl2O3 |
| Exact Mass | 352.0633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wUNhtCoXF7 |
|---|---|
| Name | Dichlorphen, o-isovaleryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.063299837 u |
| Formula | C18H18Cl2O3 |
| InChI | InChI=1S/C18H18Cl2O3/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/h3-6,9-11,21H,7-8H2,1-2H3 |
| InChIKey | HQWCCOALJIAXON-UHFFFAOYSA-N |
| Molecular Weight | 353.245 g/mol |
| SMILES | CC(CC(=O)OC1=C(C=C(C=C1)Cl)CC1=CC(=CC=C1O)Cl)C |