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phenol, 4-bromo-2-[(Z)-[[4-(2-pyridinyl)-1-piperazinyl]imino]methyl]-
SpectraBase Compound ID GhqsHeZcwsS
InChI InChI=1S/C16H17BrN4O/c17-14-4-5-15(22)13(11-14)12-19-21-9-7-20(8-10-21)16-3-1-2-6-18-16/h1-6,11-12,22H,7-10H2
InChIKey AEYANVWFSYEDQT-UHFFFAOYSA-N
Mol Weight 361.24 g/mol
Molecular Formula C16H17BrN4O
Exact Mass 360.058574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcO40oXVQUo
Name Phenol, 4-bromo-2-[(Z)-[[4-(2-pyridinyl)-1-piperazinyl]imino]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.058574182 u
Formula C16H17BrN4O
InChI InChI=1S/C16H17BrN4O/c17-14-4-5-15(22)13(11-14)12-19-21-9-7-20(8-10-21)16-3-1-2-6-18-16/h1-6,11-12,22H,7-10H2
InChIKey AEYANVWFSYEDQT-UHFFFAOYSA-N
Molecular Weight 361.243 g/mol
SMILES OC=1C(C=NN2CCN(C3=NC=CC=C3)CC2)=CC(=CC1)Br