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1-piperazinamine, N-[(E)-(3-bromophenyl)methylidene]-4-(4-methylphenyl)-
SpectraBase Compound ID IhqbLnDPIV
InChI InChI=1S/C18H20BrN3/c1-15-5-7-18(8-6-15)21-9-11-22(12-10-21)20-14-16-3-2-4-17(19)13-16/h2-8,13-14H,9-12H2,1H3/b20-14+
InChIKey OLTQQYWABJDNSX-XSFVSMFZSA-N
Mol Weight 358.28 g/mol
Molecular Formula C18H20BrN3
Exact Mass 357.084061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mxFXHn0lgW
Name 1-Piperazinamine, N-[(E)-(3-bromophenyl)methylidene]-4-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.084060656 u
Formula C18H20BrN3
InChI InChI=1S/C18H20BrN3/c1-15-5-7-18(8-6-15)21-9-11-22(12-10-21)20-14-16-3-2-4-17(19)13-16/h2-8,13-14H,9-12H2,1H3/b20-14+
InChIKey OLTQQYWABJDNSX-XSFVSMFZSA-N
Molecular Weight 358.283 g/mol
SMILES CC=1C=CC(N2CCN(CC2)\N=C\C=2C=C(Br)C=CC2)=CC1