| SpectraBase Compound ID | KYLsYqAPeNP |
|---|---|
| InChI | InChI=1S/C18H16ClNO3S/c1-20(2)17-10-4-9-16-15(17)8-5-11-18(16)24(21,22)23-14-7-3-6-13(19)12-14/h3-12H,1-2H3 |
| InChIKey | XBKCCTXYJCIOOM-UHFFFAOYSA-N |
| Mol Weight | 361.84 g/mol |
| Molecular Formula | C18H16ClNO3S |
| Exact Mass | 361.053942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpFpQRV1yam |
|---|---|
| Name | 3-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)17-10-4-9-16-15(17)8-5-11-18(16)24(21,22)23-14-7-3-6-13(19)12-14/h3-12H,1-2H3 |
| InChIKey | XBKCCTXYJCIOOM-UHFFFAOYSA-N |
| Molecular Weight | 361.843 g/mol |
| SMILES | C1=C(C=CC=C1OS(C=1C2=CC=CC(=C2C=CC1)N(C)C)(=O)=O)Cl |