| SpectraBase Compound ID | EemAn0EJZOX |
|---|---|
| InChI | InChI=1S/C18H16ClNO3S/c1-20(2)16-10-5-8-14-13(16)7-6-12-18(14)24(21,22)23-17-11-4-3-9-15(17)19/h3-12H,1-2H3 |
| InChIKey | YECMFDBCXFGXRS-UHFFFAOYSA-N |
| Mol Weight | 361.84 g/mol |
| Molecular Formula | C18H16ClNO3S |
| Exact Mass | 361.053942 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 | IxmvLcxHIuO |
|---|---|
| Name | 2-Chlorophenol, o-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.053942250 u |
| Formula | C18H16ClNO3S |
| InChI | InChI=1S/C18H16ClNO3S/c1-20(2)16-10-5-8-14-13(16)7-6-12-18(14)24(21,22)23-17-11-4-3-9-15(17)19/h3-12H,1-2H3 |
| InChIKey | YECMFDBCXFGXRS-UHFFFAOYSA-N |
| Molecular Weight | 361.843 g/mol |
| SMILES | C1=CC=CC(=C1OS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)Cl |