![ethyl 2-(4-oxo-4-phenyl-2-sulfanylidenebutyl)-5,7-dihydro-4H-spiro[1-benzothiophene-6,1'-cyclohexane]-3-carboxylate](/api/spectrum/AbEYRyTfvMG/structure.png?h=300&w=458 "ethyl 2-(4-oxo-4-phenyl-2-sulfanylidenebutyl)-5,7-dihydro-4H-spiro[1-benzothiophene-6,1'-cyclohexane]-3-carboxylate")
| SpectraBase Compound ID | LYgjOTw8abn |
|---|---|
| InChI | InChI=1S/C24H28N2O3S2/c1-2-29-22(28)19-17-11-14-24(12-7-4-8-13-24)15-18(17)31-21(19)26-23(30)25-20(27)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H2,25,26,27,30) |
| InChIKey | IJVIDJVOTAVTKD-UHFFFAOYSA-N |
| Mol Weight | 456.62 g/mol |
| Molecular Formula | C24H28N2O3S2 |
| Exact Mass | 456.154135 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AbEYRyTfvMG |
|---|---|
| Name | ethyl 2-(4-oxo-4-phenyl-2-sulfanylidenebutyl)-5,7-dihydro-4H-spiro[1-benzothiophene-6,1'-cyclohexane]-3-carboxylate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.154135115 u |
| Formula | C24H28N2O3S2 |
| InChI | InChI=1S/C24H28N2O3S2/c1-2-29-22(28)19-17-11-14-24(12-7-4-8-13-24)15-18(17)31-21(19)26-23(30)25-20(27)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H2,25,26,27,30) |
| InChIKey | IJVIDJVOTAVTKD-UHFFFAOYSA-N |
| Molecular Weight | 456.619 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2157 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279017 |