![3-(isopropylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester](/api/spectrum/4ohfgu2iagU/structure.png?h=300&w=458 "3-(isopropylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, ethyl ester")
| SpectraBase Compound ID | DeE2nL8amUc |
|---|---|
| InChI | InChI=1S/C14H18O3S2/c1-4-17-13(16)12-9-6-5-7-10(15)11(9)14(19-12)18-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | CMDNLAPAEVHOQL-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C14H18O3S2 |
| Exact Mass | 298.069737 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ohfgu2iagU |
|---|---|
| Name | 3-(isopropylthio)-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 | C14H18O3S2 |
| InChI | InChI=1S/C14H18O3S2/c1-4-17-13(16)12-9-6-5-7-10(15)11(9)14(19-12)18-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | CMDNLAPAEVHOQL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61252M |
| Solvent | CDCl3 |