| SpectraBase Compound ID | EKZ2AZCIwHu |
|---|---|
| InChI | InChI=1S/C20H20ClNO3S/c1-13-11-15(12-14(2)20(13)21)25-26(23,24)19-10-6-7-16-17(19)8-5-9-18(16)22(3)4/h5-12H,1-4H3 |
| InChIKey | GFYVOKYBELOYLZ-UHFFFAOYSA-N |
| Mol Weight | 389.9 g/mol |
| Molecular Formula | C20H20ClNO3S |
| Exact Mass | 389.085242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SMwoEwzkQZ |
|---|---|
| Name | 4-Chloro-3,5-dimethylphenol, o-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.085242379 u |
| Formula | C20H20ClNO3S |
| InChI | InChI=1S/C20H20ClNO3S/c1-13-11-15(12-14(2)20(13)21)25-26(23,24)19-10-6-7-16-17(19)8-5-9-18(16)22(3)4/h5-12H,1-4H3 |
| InChIKey | GFYVOKYBELOYLZ-UHFFFAOYSA-N |
| Molecular Weight | 389.897 g/mol |
| SMILES | C1(S(=O)(=O)OC=2C=C(C(=C(C2)C)Cl)C)=C2C=CC=C(C2=CC=C1)N(C)C |