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1,3-benzenediol, 4-[(E)-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]imino]methyl]-
SpectraBase Compound ID H6TUEvdFAu4
InChI InChI=1S/C18H20ClN3O2/c19-16-4-1-14(2-5-16)13-21-7-9-22(10-8-21)20-12-15-3-6-17(23)11-18(15)24/h1-6,11-12,23-24H,7-10,13H2/b20-12+
InChIKey XYFRFWBQKVHOQU-UDWIEESQSA-N
Mol Weight 345.83 g/mol
Molecular Formula C18H20ClN3O2
Exact Mass 345.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nwcRPHNddQ
Name 1,3-Benzenediol, 4-[(E)-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]imino]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.124404594 u
Formula C18H20ClN3O2
InChI InChI=1S/C18H20ClN3O2/c19-16-4-1-14(2-5-16)13-21-7-9-22(10-8-21)20-12-15-3-6-17(23)11-18(15)24/h1-6,11-12,23-24H,7-10,13H2/b20-12+
InChIKey XYFRFWBQKVHOQU-UDWIEESQSA-N
Molecular Weight 345.830 g/mol
SMILES OC1=CC=C(C(=C1)O)\C=N\N1CCN(CC1)CC=1C=CC(=CC1)Cl