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SpectraBase Compound ID | 11wkgbWOPES |
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InChI | InChI=1S/C18H21BrN2O4S2/c1-12-5-6-15(25-2)14(10-12)20-18(22)13-4-3-9-21(11-13)27(23,24)17-8-7-16(19)26-17/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,22) |
InChIKey | VPABMQLMNRTGPM-UHFFFAOYSA-N |
Mol Weight | 473.4 g/mol |
Molecular Formula | C18H21BrN2O4S2 |
Exact Mass | 472.012613 g/mol |
SpectraBase Spectrum ID | 6Gt81nuyXiR |
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Name | 1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-methoxy-5-methylphenyl)-3-piperidinecarboxamide |
Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 472.012612508 u |
Formula | C18H21BrN2O4S2 |
InChI | InChI=1S/C18H21BrN2O4S2/c1-12-5-6-15(25-2)14(10-12)20-18(22)13-4-3-9-21(11-13)27(23,24)17-8-7-16(19)26-17/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,22) |
InChIKey | VPABMQLMNRTGPM-UHFFFAOYSA-N |
Molecular Weight | 473.400 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_3058 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288347 |