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benzenamine, 4-bromo-N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methylidene]-
SpectraBase Compound ID 5sRF9abztGK
InChI InChI=1S/C19H18BrN3/c1-14-19(12-21-18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/b21-12+
InChIKey WBQYVDMLVULIRO-CIAFOILYSA-N
Mol Weight 368.28 g/mol
Molecular Formula C19H18BrN3
Exact Mass 367.068411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjwMYQheWxI
Name Benzenamine, 4-bromo-N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methylidene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.068410592 u
Formula C19H18BrN3
InChI InChI=1S/C19H18BrN3/c1-14-19(12-21-18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/b21-12+
InChIKey WBQYVDMLVULIRO-CIAFOILYSA-N
Molecular Weight 368.278 g/mol
SMILES C=1C=CC(=CC1)CN1N=C(C(=C1C)\C=N\C1=CC=C(C=C1)Br)C