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1-piperazinamine, N-[(E)-[4-(methylthio)phenyl]methylidene]-4-phenyl-
SpectraBase Compound ID 7wNynFwOfGE
InChI InChI=1S/C18H21N3S/c1-22-18-9-7-16(8-10-18)15-19-21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/b19-15+
InChIKey FEUJFHLHUSWSKD-XDJHFCHBSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGoxmvjaMbU
Name 1-Piperazinamine, N-[(E)-[4-(methylthio)phenyl]methylidene]-4-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.145618862 u
Formula C18H21N3S
InChI InChI=1S/C18H21N3S/c1-22-18-9-7-16(8-10-18)15-19-21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/b19-15+
InChIKey FEUJFHLHUSWSKD-XDJHFCHBSA-N
Molecular Weight 311.447 g/mol
SMILES C=1C=CC(N2CCN(CC2)\N=C\C2=CC=C(C=C2)SC)=CC1