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1H-Indole-3-ethanamine, .alpha.-(2-methylcyclohexyl)-N-(1-methylethyl)-, [1.alpha.(R*),2.alpha.]-
SpectraBase Compound ID 3tzzV0NsNx5
InChI InChI=1S/C20H30N2/c1-14(2)22-20(17-9-5-4-8-15(17)3)12-16-13-21-19-11-7-6-10-18(16)19/h6-7,10-11,13-15,17,20-22H,4-5,8-9,12H2,1-3H3/t15-,17-,20-/m1/s1
InChIKey WQUYBVJUJWGTAG-WRWLIDTKSA-N
Mol Weight 298.47 g/mol
Molecular Formula C20H30N2
Exact Mass 298.240899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcPpdTUmVS5
Name 1H-Indole-3-ethanamine, .alpha.-(2-methylcyclohexyl)-N-(1-methylethyl)-, [1.alpha.(R*),2.alpha.]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.240898974 u
Formula C20H30N2
InChI InChI=1S/C20H30N2/c1-14(2)22-20(17-9-5-4-8-15(17)3)12-16-13-21-19-11-7-6-10-18(16)19/h6-7,10-11,13-15,17,20-22H,4-5,8-9,12H2,1-3H3/t15-,17-,20-/m1/s1
InChIKey WQUYBVJUJWGTAG-WRWLIDTKSA-N
SMILES C1(=CNC2=C1C=CC=C2)C[C@@](NC(C)C)([C@]1([C@](C)(CCCC1)[H])[H])[H]