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N-[4-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide
SpectraBase Compound ID GYlHxC33tdn
InChI InChI=1S/C24H28FN3O4S/c25-18-10-14-21(15-11-18)33(31,32)28-16-4-7-22(28)24(30)27-20-12-8-17(9-13-20)23(29)26-19-5-2-1-3-6-19/h8-15,19,22H,1-7,16H2,(H,26,29)(H,27,30)
InChIKey PQTHUIZNXDWOIO-UHFFFAOYSA-N
Mol Weight 473.56 g/mol
Molecular Formula C24H28FN3O4S
Exact Mass 473.178456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 138C8Awy1N6
Name N-[4-(Cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 473.178455727 u
Formula C24H28FN3O4S
InChI InChI=1S/C24H28FN3O4S/c25-18-10-14-21(15-11-18)33(31,32)28-16-4-7-22(28)24(30)27-20-12-8-17(9-13-20)23(29)26-19-5-2-1-3-6-19/h8-15,19,22H,1-7,16H2,(H,26,29)(H,27,30)
InChIKey PQTHUIZNXDWOIO-UHFFFAOYSA-N
Molecular Weight 473.563 g/mol
SMILES C1(=CC=C(S(=O)(=O)N2CCCC2C(NC2=CC=C(C=C2)C(NC2CCCCC2)=O)=O)C=C1)F