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N,N-Diethyl-2-isopropyl-1-phenylsulfonylindole-3-carboxamide
SpectraBase Compound ID FxBdpc7mmXK
InChI InChI=1S/C22H26N2O3S/c1-5-23(6-2)22(25)20-18-14-10-11-15-19(18)24(21(20)16(3)4)28(26,27)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3
InChIKey CKLXKASUZJGKSU-UHFFFAOYSA-N
Mol Weight 398.52 g/mol
Molecular Formula C22H26N2O3S
Exact Mass 398.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IajQdUh8mTN
Name N,N-Diethyl-2-isopropyl-1-phenylsulfonylindole-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 398.166413876 u
Formula C22H26N2O3S
InChI InChI=1S/C22H26N2O3S/c1-5-23(6-2)22(25)20-18-14-10-11-15-19(18)24(21(20)16(3)4)28(26,27)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3
InChIKey CKLXKASUZJGKSU-UHFFFAOYSA-N
Molecular Weight 398.521 g/mol
SMILES C1(S(N2C(=C(C(N(CC)CC)=O)C3=C2C=CC=C3)C(C)C)(=O)=O)=CC=CC=C1