SpectraBase Compound ID | 8iaZhbHclJR |
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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 |
SpectraBase Spectrum ID | 5zSfh6T5D8h |
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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 |