SpectraBase Compound ID | 2AUMBa8f8Vs |
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InChI | InChI=1S/C17H19BrN2O3S2/c1-12-4-2-6-14(10-12)19-17(21)13-5-3-9-20(11-13)25(22,23)16-8-7-15(18)24-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,19,21) |
InChIKey | QDJFNQKDJPCCJJ-UHFFFAOYSA-N |
Mol Weight | 443.37 g/mol |
Molecular Formula | C17H19BrN2O3S2 |
Exact Mass | 442.002048 g/mol |
SpectraBase Spectrum ID | 4hWgubsHuGD |
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Name | 1-[(5-bromo-2-thienyl)sulfonyl]-N-(3-methylphenyl)-3-piperidinecarboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 442.002047825 u |
Formula | C17H19BrN2O3S2 |
InChI | InChI=1S/C17H19BrN2O3S2/c1-12-4-2-6-14(10-12)19-17(21)13-5-3-9-20(11-13)25(22,23)16-8-7-15(18)24-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,19,21) |
InChIKey | QDJFNQKDJPCCJJ-UHFFFAOYSA-N |
Molecular Weight | 443.374 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_3061 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288350 |