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Acetamide, N-[4-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]cyclohexyl]-, trans-
SpectraBase Compound ID 8uoFb6kyx2J
InChI InChI=1S/C23H30N2O3S/c1-18-8-14-23(15-9-18)29(27,28)25(17-16-20-6-4-3-5-7-20)22-12-10-21(11-13-22)24-19(2)26/h3-9,14-15,21-22H,10-13,16-17H2,1-2H3,(H,24,26)/t21-,22-
InChIKey LYUKNUSDQKDDIG-HZCBDIJESA-N
Mol Weight 414.56 g/mol
Molecular Formula C23H30N2O3S
Exact Mass 414.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJnluGJIsIb
Name Acetamide, N-[4-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]cyclohexyl]-, trans-
Comments Computed using HOSE algorithm
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Exact Mass 414.197714005 u
Formula C23H30N2O3S
InChI InChI=1S/C23H30N2O3S/c1-18-8-14-23(15-9-18)29(27,28)25(17-16-20-6-4-3-5-7-20)22-12-10-21(11-13-22)24-19(2)26/h3-9,14-15,21-22H,10-13,16-17H2,1-2H3,(H,24,26)/t21-,22-
InChIKey LYUKNUSDQKDDIG-HZCBDIJESA-N
Molecular Weight 414.564 g/mol
SMILES C(N(S(C=1C=CC(=CC1)C)(=O)=O)[C@]1(CC[C@](NC(=O)C)(CC1)[H])[H])CC=1C=CC=CC1