![2-[2-(4-Chlorophenyl)sulfanylethyl]isoindole-1,3-dione](/api/spectrum/885Ya7341Ng/structure.png?h=300&w=458 "2-[2-(4-Chlorophenyl)sulfanylethyl]isoindole-1,3-dione")
| SpectraBase Compound ID | 9tA686hQh7R |
|---|---|
| InChI | InChI=1S/C16H12ClNO2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2 |
| InChIKey | WQFZHSRNWSTGMY-UHFFFAOYSA-N |
| Mol Weight | 317.79 g/mol |
| Molecular Formula | C16H12ClNO2S |
| Exact Mass | 317.027728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 885Ya7341Ng |
|---|---|
| Name | 2-[2-(4-Chlorophenyl)sulfanylethyl]isoindole-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.027727502 u |
| Formula | C16H12ClNO2S |
| InChI | InChI=1S/C16H12ClNO2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2 |
| InChIKey | WQFZHSRNWSTGMY-UHFFFAOYSA-N |
| Molecular Weight | 317.790 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CCSC1=CC=C(C=C1)Cl)=O |