SpectraBase Compound ID | J7Uf5wPW1MH |
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InChI | InChI=1S/C21H20BrFN2O3/c22-18-9-2-1-8-17(18)20(26)25-19(12-14-5-3-6-15(23)11-14)21(27)24-13-16-7-4-10-28-16/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,27)(H,25,26)/b19-12- |
InChIKey | FXWFHOIYACROTF-UNOMPAQXSA-N |
Mol Weight | 447.3 g/mol |
Molecular Formula | C21H20BrFN2O3 |
Exact Mass | 446.064134 g/mol |
SpectraBase Spectrum ID | 8o2kWh73OEy |
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Name | benzamide, 2-bromo-N-[(Z)-2-(3-fluorophenyl)-1-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]ethenyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 446.064133672 u |
Formula | C21H20BrFN2O3 |
InChI | InChI=1S/C21H20BrFN2O3/c22-18-9-2-1-8-17(18)20(26)25-19(12-14-5-3-6-15(23)11-14)21(27)24-13-16-7-4-10-28-16/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,24,27)(H,25,26)/b19-12- |
InChIKey | FXWFHOIYACROTF-UNOMPAQXSA-N |
Molecular Weight | 447.304 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2017_12282 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/10272052; Lab Info: FNG; Lab Number: FNG-0000065 |