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phenol, 4-[(E)-[[4-(4-chlorophenyl)-1-piperazinyl]imino]methyl]-

View entire compound with spectra: 2 NMR

phenol, 4-[(E)-[[4-(4-chlorophenyl)-1-piperazinyl]imino]methyl]-
SpectraBase Compound ID 4XLXZ3FUsmb
InChI InChI=1S/C17H18ClN3O/c18-15-3-5-16(6-4-15)20-9-11-21(12-10-20)19-13-14-1-7-17(22)8-2-14/h1-8,13,22H,9-12H2/b19-13+
InChIKey YACYJKJSBXTNMF-CPNJWEJPSA-N
Mol Weight 315.8 g/mol
Molecular Formula C17H18ClN3O
Exact Mass 315.11384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIWanIfo1YV
Name Phenol, 4-[(E)-[[4-(4-chlorophenyl)-1-piperazinyl]imino]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.113839911 u
Formula C17H18ClN3O
InChI InChI=1S/C17H18ClN3O/c18-15-3-5-16(6-4-15)20-9-11-21(12-10-20)19-13-14-1-7-17(22)8-2-14/h1-8,13,22H,9-12H2/b19-13+
InChIKey YACYJKJSBXTNMF-CPNJWEJPSA-N
Molecular Weight 315.804 g/mol
SMILES OC1=CC=C(\C=N\N2CCN(C=3C=CC(=CC3)Cl)CC2)C=C1