![methyl 6-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-](/api/spectrum/1B0KhMEfHeF/structure.png?h=300&w=458 "methyl 6-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-")
| SpectraBase Compound ID | LCSku1quAiZ |
|---|---|
| InChI | InChI=1S/C22H21F3N2O4S2/c1-10-3-5-12-15(7-10)33-20(18(12)21(30)31-2)27-17(28)9-16-19(29)26-13-8-11(22(23,24)25)4-6-14(13)32-16/h4,6,8,10,16H,3,5,7,9H2,1-2H3,(H,26,29)(H,27,28) |
| InChIKey | ORKDUELRXVEHDV-UHFFFAOYSA-N |
| Mol Weight | 498.54 g/mol |
| Molecular Formula | C22H21F3N2O4S2 |
| Exact Mass | 498.089484 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1B0KhMEfHeF |
|---|---|
| Name | methyl 6-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.089483997 u |
| Formula | C22H21F3N2O4S2 |
| InChI | InChI=1S/C22H21F3N2O4S2/c1-10-3-5-12-15(7-10)33-20(18(12)21(30)31-2)27-17(28)9-16-19(29)26-13-8-11(22(23,24)25)4-6-14(13)32-16/h4,6,8,10,16H,3,5,7,9H2,1-2H3,(H,26,29)(H,27,28) |
| InChIKey | ORKDUELRXVEHDV-UHFFFAOYSA-N |
| Molecular Weight | 498.535 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2578 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279674 |