| SpectraBase Compound ID | J4jLERd88Oc |
|---|---|
| InChI | InChI=1S/C18H15Cl2NO3S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)25(22,23)24-14-10-12(19)9-13(20)11-14/h3-11H,1-2H3 |
| InChIKey | UCXWYXGMQZUFKO-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 | CEMugv5TBMf |
|---|---|
| Name | 3,5-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)17-7-3-6-16-15(17)5-4-8-18(16)25(22,23)24-14-10-12(19)9-13(20)11-14/h3-11H,1-2H3 |
| InChIKey | UCXWYXGMQZUFKO-UHFFFAOYSA-N |
| Molecular Weight | 396.288 g/mol |
| SMILES | C1=C(C=C(C=C1OS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)Cl)Cl |