| SpectraBase Compound ID | 2FaXh3I5Ja1 |
|---|---|
| InChI | InChI=1S/C17H16Cl2O3/c1-10(2)17(21)22-16-6-4-14(19)9-12(16)7-11-8-13(18)3-5-15(11)20/h3-6,8-10,20H,7H2,1-2H3 |
| InChIKey | XTXMWYHFJPFXIN-UHFFFAOYSA-N |
| Mol Weight | 339.22 g/mol |
| Molecular Formula | C17H16Cl2O3 |
| Exact Mass | 338.04765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Wo28ksFXY1 |
|---|---|
| Name | Dichlorophen, o-(isobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.047649772 u |
| Formula | C17H16Cl2O3 |
| InChI | InChI=1S/C17H16Cl2O3/c1-10(2)17(21)22-16-6-4-14(19)9-12(16)7-11-8-13(18)3-5-15(11)20/h3-6,8-10,20H,7H2,1-2H3 |
| InChIKey | XTXMWYHFJPFXIN-UHFFFAOYSA-N |
| Molecular Weight | 339.218 g/mol |
| SMILES | C1(=CC=C(C(=C1)CC1=CC(=CC=C1O)Cl)OC(C(C)C)=O)Cl |