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carbamic acid, [[4-[[[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]carbonyl]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID I3QDWTiHTKS
InChI InChI=1S/C23H32FN3O3/c1-23(2,3)30-22(29)27-13-15-4-6-16(7-5-15)21(28)25-11-10-17-14-26-20-9-8-18(24)12-19(17)20/h8-9,12,14-16,26H,4-7,10-11,13H2,1-3H3,(H,25,28)(H,27,29)
InChIKey DLSMZABOLLASIV-UHFFFAOYSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H32FN3O3
Exact Mass 417.24277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InPQZ4bBdrT
Name Carbamic acid, [[4-[[[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]carbonyl]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.242770062 u
Formula C23H32FN3O3
InChI InChI=1S/C23H32FN3O3/c1-23(2,3)30-22(29)27-13-15-4-6-16(7-5-15)21(28)25-11-10-17-14-26-20-9-8-18(24)12-19(17)20/h8-9,12,14-16,26H,4-7,10-11,13H2,1-3H3,(H,25,28)(H,27,29)
InChIKey DLSMZABOLLASIV-UHFFFAOYSA-N
Molecular Weight 417.525 g/mol
SMILES N(C(OC(C)(C)C)=O)CC1CCC(C(NCCC2=CNC3=C2C=C(C=C3)F)=O)CC1