![benzo[b]thiophene-3-carboxamide, 2-[[1-[(2-ethoxybenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro-](/api/spectrum/KK1eYyqbR2M/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxamide, 2-[[1-[(2-ethoxybenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro-")
| SpectraBase Compound ID | LJPLdgslw8u |
|---|---|
| InChI | InChI=1S/C21H21F6N3O3S/c1-2-33-13-9-5-3-7-11(13)17(32)29-19(20(22,23)24,21(25,26)27)30-18-15(16(28)31)12-8-4-6-10-14(12)34-18/h3,5,7,9,30H,2,4,6,8,10H2,1H3,(H2,28,31)(H,29,32) |
| InChIKey | JPELPWFXSAYCTI-UHFFFAOYSA-N |
| Mol Weight | 509.47 g/mol |
| Molecular Formula | C21H21F6N3O3S |
| Exact Mass | 509.120782 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KK1eYyqbR2M |
|---|---|
| Name | benzo[b]thiophene-3-carboxamide, 2-[[1-[(2-ethoxybenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 509.120781697 u |
| Formula | C21H21F6N3O3S |
| InChI | InChI=1S/C21H21F6N3O3S/c1-2-33-13-9-5-3-7-11(13)17(32)29-19(20(22,23)24,21(25,26)27)30-18-15(16(28)31)12-8-4-6-10-14(12)34-18/h3,5,7,9,30H,2,4,6,8,10H2,1H3,(H2,28,31)(H,29,32) |
| InChIKey | JPELPWFXSAYCTI-UHFFFAOYSA-N |
| Molecular Weight | 509.467 g/mol |
| NMR Offset | 17.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_7538 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/9233778; Lab Info: AU; Lab Number: AU-0000681 |