![N-(4-bromo-3-methylphenyl)-4-(methylsulfanyl)-2-[(2-thienylsulfonyl)amino]butanamide](/api/spectrum/5zSfh6T5D8h/structure.png?h=300&w=458 "N-(4-bromo-3-methylphenyl)-4-(methylsulfanyl)-2-[(2-thienylsulfonyl)amino]butanamide")
| SpectraBase Compound ID | 8iaZhbHclJR |
|---|---|
| InChI | InChI=1S/C16H19BrN2O3S3/c1-11-10-12(5-6-13(11)17)18-16(20)14(7-9-23-2)19-25(21,22)15-4-3-8-24-15/h3-6,8,10,14,19H,7,9H2,1-2H3,(H,18,20) |
| InChIKey | JIAPLUVIJJFRBJ-UHFFFAOYSA-N |
| Mol Weight | 463.42 g/mol |
| Molecular Formula | C16H19BrN2O3S3 |
| Exact Mass | 461.974119 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5zSfh6T5D8h |
|---|---|
| Name | N-(4-bromo-3-methylphenyl)-4-(methylsulfanyl)-2-[(2-thienylsulfonyl)amino]butanamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.974118999 u |
| Formula | C16H19BrN2O3S3 |
| InChI | InChI=1S/C16H19BrN2O3S3/c1-11-10-12(5-6-13(11)17)18-16(20)14(7-9-23-2)19-25(21,22)15-4-3-8-24-15/h3-6,8,10,14,19H,7,9H2,1-2H3,(H,18,20) |
| InChIKey | JIAPLUVIJJFRBJ-UHFFFAOYSA-N |
| Molecular Weight | 463.423 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4496 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12309457 |