![3-[(p-chlorobenzyl)thio]-6,8-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester](/api/spectrum/L6FhoZVCLcF/structure.png?h=300&w=458 "3-[(p-chlorobenzyl)thio]-6,8-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester")
| SpectraBase Compound ID | VY7ZRyvwv6 |
|---|---|
| InChI | InChI=1S/C20H21ClO3S2/c1-4-24-18(23)17-14-9-20(2,3)10-15(22)16(14)19(26-17)25-11-12-5-7-13(21)8-6-12/h5-8H,4,9-11H2,1-3H3 |
| InChIKey | ZWRBUTHHZCEULL-UHFFFAOYSA-N |
| Mol Weight | 408.96 g/mol |
| Molecular Formula | C20H21ClO3S2 |
| Exact Mass | 408.062065 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6FhoZVCLcF |
|---|---|
| Name | 3-[(p-chlorobenzyl)thio]-6,8-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H21ClO3S2 |
| InChI | InChI=1S/C20H21ClO3S2/c1-4-24-18(23)17-14-9-20(2,3)10-15(22)16(14)19(26-17)25-11-12-5-7-13(21)8-6-12/h5-8H,4,9-11H2,1-3H3 |
| InChIKey | ZWRBUTHHZCEULL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61064M |
| Solvent | CDCl3 |