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1-Tosyl-4-(2-((4-(trifluoromethyl)benzyl)oxy)ethyl)-1,4-diazepan-5-one

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1-Tosyl-4-(2-((4-(trifluoromethyl)benzyl)oxy)ethyl)-1,4-diazepan-5-one
SpectraBase Compound ID 5e2NclbJCD7
InChI InChI=1S/C22H25F3N2O4S/c1-17-2-8-20(9-3-17)32(29,30)27-11-10-21(28)26(12-13-27)14-15-31-16-18-4-6-19(7-5-18)22(23,24)25/h2-9H,10-16H2,1H3
InChIKey RISJGFIOEFXEIM-UHFFFAOYSA-N
Mol Weight 470.51 g/mol
Molecular Formula C22H25F3N2O4S
Exact Mass 470.148713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HugBnY7E3LO
Name 1-Tosyl-4-(2-((4-(trifluoromethyl)benzyl)oxy)ethyl)-1,4-diazepan-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.148712952 u
Formula C22H25F3N2O4S
InChI InChI=1S/C22H25F3N2O4S/c1-17-2-8-20(9-3-17)32(29,30)27-11-10-21(28)26(12-13-27)14-15-31-16-18-4-6-19(7-5-18)22(23,24)25/h2-9H,10-16H2,1H3
InChIKey RISJGFIOEFXEIM-UHFFFAOYSA-N
Molecular Weight 470.507 g/mol
SMILES CC1=CC=C(C=C1)S(=O)(=O)N1CCN(CCOCC2=CC=C(C=C2)C(F)(F)F)C(=O)CC1