| SpectraBase Compound ID | CmFXGFFN6Qn |
|---|---|
| InChI | InChI=1S/C19H18ClNO3S/c1-13-12-14(10-11-17(13)20)24-25(22,23)19-9-5-6-15-16(19)7-4-8-18(15)21(2)3/h4-12H,1-3H3 |
| InChIKey | GJNICCHDYFTGNR-UHFFFAOYSA-N |
| Mol Weight | 375.87 g/mol |
| Molecular Formula | C19H18ClNO3S |
| Exact Mass | 375.069592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4Zo4WGFmnVz |
|---|---|
| Name | 4-Chloro-3-methylphenol, o-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.069592315 u |
| Formula | C19H18ClNO3S |
| InChI | InChI=1S/C19H18ClNO3S/c1-13-12-14(10-11-17(13)20)24-25(22,23)19-9-5-6-15-16(19)7-4-8-18(15)21(2)3/h4-12H,1-3H3 |
| InChIKey | GJNICCHDYFTGNR-UHFFFAOYSA-N |
| Molecular Weight | 375.870 g/mol |
| SMILES | C1=C(C(=CC=C1OS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)Cl)C |