| SpectraBase Compound ID | qWrPKpIEn4 |
|---|---|
| InChI | InChI=1S/C18H15Cl2NO3S/c1-21(2)16-10-3-7-13-12(16)6-4-11-17(13)25(22,23)24-18-14(19)8-5-9-15(18)20/h3-11H,1-2H3 |
| InChIKey | YZVOABWTHQGBAH-UHFFFAOYSA-N |
| Mol Weight | 396.29 g/mol |
| Molecular Formula | C18H15Cl2NO3S |
| Exact Mass | 395.01497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1SQ0BKMnuN |
|---|---|
| Name | 2,6-Dichlorophenol, o-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.014969918 u |
| Formula | C18H15Cl2NO3S |
| InChI | InChI=1S/C18H15Cl2NO3S/c1-21(2)16-10-3-7-13-12(16)6-4-11-17(13)25(22,23)24-18-14(19)8-5-9-15(18)20/h3-11H,1-2H3 |
| InChIKey | YZVOABWTHQGBAH-UHFFFAOYSA-N |
| Molecular Weight | 396.288 g/mol |
| SMILES | C1(=CC=CC(=C1OS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)Cl)Cl |