![3-[(p-chlorobenzyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile](/api/spectrum/7wLeb0s3GjE/structure.png?h=300&w=458 "3-[(p-chlorobenzyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile")
| SpectraBase Compound ID | 3kYSIKpqy9n |
|---|---|
| InChI | InChI=1S/C18H16ClNOS2/c1-18(2)7-13-15(9-20)23-17(16(13)14(21)8-18)22-10-11-3-5-12(19)6-4-11/h3-6H,7-8,10H2,1-2H3 |
| InChIKey | ARJLTFGWIHELDC-UHFFFAOYSA-N |
| Mol Weight | 361.91 g/mol |
| Molecular Formula | C18H16ClNOS2 |
| Exact Mass | 361.036184 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wLeb0s3GjE |
|---|---|
| Name | 3-[(p-chlorobenzyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16ClNOS2 |
| InChI | InChI=1S/C18H16ClNOS2/c1-18(2)7-13-15(9-20)23-17(16(13)14(21)8-18)22-10-11-3-5-12(19)6-4-11/h3-6H,7-8,10H2,1-2H3 |
| InChIKey | ARJLTFGWIHELDC-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61253M |
| Solvent | CDCl3 |