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3-(Aminocyclohexylmethyl)-5-methyl-2-phenyl-1-(p-tolyl)pyrrole
SpectraBase Compound ID GtuTitpipUi
InChI InChI=1S/C25H30N2/c1-18-13-15-22(16-14-18)27-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h4,7-8,11-17,20,24H,3,5-6,9-10,26H2,1-2H3
InChIKey WZVKXWQWVBFBRY-UHFFFAOYSA-N
Mol Weight 358.53 g/mol
Molecular Formula C25H30N2
Exact Mass 358.240899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UUqZdCGTxu
Name 3-(Aminocyclohexylmethyl)-5-methyl-2-phenyl-1-(p-tolyl)pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.240898974 u
Formula C25H30N2
InChI InChI=1S/C25H30N2/c1-18-13-15-22(16-14-18)27-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h4,7-8,11-17,20,24H,3,5-6,9-10,26H2,1-2H3
InChIKey WZVKXWQWVBFBRY-UHFFFAOYSA-N
Molecular Weight 358.529 g/mol
SMILES C1(=C(N(C2=CC=C(C=C2)C)C(=C1)C)C=1C=CC=CC1)C(C1CCCCC1)N