![benzo[b]thiophene-3-carboxamide, 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-N-(2-methylphenyl)-](/api/spectrum/Hy0KGZURA3L/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxamide, 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-N-(2-methylphenyl)-")
| SpectraBase Compound ID | 60pSciBS5AA |
|---|---|
| InChI | InChI=1S/C25H25ClN2O3S/c1-15-8-3-5-12-20(15)27-24(30)22-19-11-4-6-13-21(19)32-25(22)28-23(29)16(2)31-18-10-7-9-17(26)14-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3,(H,27,30)(H,28,29) |
| InChIKey | ASHSAZHBQLTGHA-UHFFFAOYSA-N |
| Mol Weight | 469.0 g/mol |
| Molecular Formula | C25H25ClN2O3S |
| Exact Mass | 468.127442 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Hy0KGZURA3L |
|---|---|
| Name | benzo[b]thiophene-3-carboxamide, 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-N-(2-methylphenyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.127441544 u |
| Formula | C25H25ClN2O3S |
| InChI | InChI=1S/C25H25ClN2O3S/c1-15-8-3-5-12-20(15)27-24(30)22-19-11-4-6-13-21(19)32-25(22)28-23(29)16(2)31-18-10-7-9-17(26)14-18/h3,5,7-10,12,14,16H,4,6,11,13H2,1-2H3,(H,27,30)(H,28,29) |
| InChIKey | ASHSAZHBQLTGHA-UHFFFAOYSA-N |
| Molecular Weight | 468.999 g/mol |
| NMR Offset | 18.0059 |
| NMR Spectrometer Frequency | 300.135 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_1970 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: ZI/8148951; Lab Info: DEC; Lab Number: DEC-1400294 |
| Temperature | 29.85 °C |