SpectraBase Compound ID | JmnVvFRTZY9 |
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InChI | InChI=1S/C18H21BrN2O3S2/c19-15-7-9-16(10-8-15)21-18(22)14-5-3-13(4-6-14)12-20-26(23,24)17-2-1-11-25-17/h1-2,7-11,13-14,20H,3-6,12H2,(H,21,22) |
InChIKey | VJRWWUZEANHELF-UHFFFAOYSA-N |
Mol Weight | 457.4 g/mol |
Molecular Formula | C18H21BrN2O3S2 |
Exact Mass | 456.017698 g/mol |
SpectraBase Spectrum ID | EPmpj0Zf10X |
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Name | N-(4-bromophenyl)-4-{[(2-thienylsulfonyl)amino]methyl}cyclohexanecarboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 456.017697889 u |
Formula | C18H21BrN2O3S2 |
InChI | InChI=1S/C18H21BrN2O3S2/c19-15-7-9-16(10-8-15)21-18(22)14-5-3-13(4-6-14)12-20-26(23,24)17-2-1-11-25-17/h1-2,7-11,13-14,20H,3-6,12H2,(H,21,22) |
InChIKey | VJRWWUZEANHELF-UHFFFAOYSA-N |
Molecular Weight | 457.401 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2966 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288259 |