![ethyl 2-{[1H-indol-3-yl(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/LtdbMWtnCMI/structure.png?h=300&w=458 "ethyl 2-{[1H-indol-3-yl(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
| SpectraBase Compound ID | Hz2jhP5jcF3 |
|---|---|
| InChI | InChI=1S/C21H20N2O4S/c1-2-27-21(26)17-13-8-4-6-10-16(13)28-20(17)23-19(25)18(24)14-11-22-15-9-5-3-7-12(14)15/h3,5,7,9,11,22H,2,4,6,8,10H2,1H3,(H,23,25) |
| InChIKey | GFHSHQSRGBBJHC-UHFFFAOYSA-N |
| Mol Weight | 396.46 g/mol |
| Molecular Formula | C21H20N2O4S |
| Exact Mass | 396.114378 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | LtdbMWtnCMI |
|---|---|
| Name | ethyl 2-{[1H-indol-3-yl(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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 | 396.114378302 u |
| Formula | C21H20N2O4S |
| InChI | InChI=1S/C21H20N2O4S/c1-2-27-21(26)17-13-8-4-6-10-16(13)28-20(17)23-19(25)18(24)14-11-22-15-9-5-3-7-12(14)15/h3,5,7,9,11,22H,2,4,6,8,10H2,1H3,(H,23,25) |
| InChIKey | GFHSHQSRGBBJHC-UHFFFAOYSA-N |
| Molecular Weight | 396.461 g/mol |
| NMR Offset | 18.0059 |
| NMR Spectrometer Frequency | 300.135 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5647 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12318890 |
| Temperature | 29.85 °C |