| SpectraBase Compound ID | 28byEHVX24f |
|---|---|
| InChI | InChI=1S/C7H6ClNO2S/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3 |
| InChIKey | FVYWHGBTHWHFQV-UHFFFAOYSA-N |
| Mol Weight | 203.64 g/mol |
| Molecular Formula | C7H6ClNO2S |
| Exact Mass | 202.980777 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 | 5KEENPkDgVT |
|---|---|
| Name | 4-Chloro-2-nitrophenyl methyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.980777309 u |
| Formula | C7H6ClNO2S |
| InChI | InChI=1S/C7H6ClNO2S/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3 |
| InChIKey | FVYWHGBTHWHFQV-UHFFFAOYSA-N |
| Molecular Weight | 203.643 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1SC)Cl |