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ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-methyl-1-piperidinyl)-
SpectraBase Compound ID HGCXLkv1hDQ
InChI InChI=1S/C20H25ClN2O/c1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)18-6-4-17(21)5-7-18/h4-7,12,14H,8-11,13H2,1-3H3
InChIKey FBNHHAHGTWTLHG-UHFFFAOYSA-N
Mol Weight 344.89 g/mol
Molecular Formula C20H25ClN2O
Exact Mass 344.165541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fwitqzlTTp
Name Ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-methyl-1-piperidinyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.165541132 u
Formula C20H25ClN2O
InChI InChI=1S/C20H25ClN2O/c1-14-8-10-22(11-9-14)13-20(24)19-12-15(2)23(16(19)3)18-6-4-17(21)5-7-18/h4-7,12,14H,8-11,13H2,1-3H3
InChIKey FBNHHAHGTWTLHG-UHFFFAOYSA-N
Molecular Weight 344.886 g/mol
SMILES C1(=C(N(C2=CC=C(C=C2)Cl)C(=C1)C)C)C(CN1CCC(CC1)C)=O