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4-[(o-Bromophenyl)azo]-3,5-dimethyl-alpha-phenylpyrazole-1-ethanol

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[(o-Bromophenyl)azo]-3,5-dimethyl-alpha-phenylpyrazole-1-ethanol
SpectraBase Compound ID LRFK1DUhrPl
InChI InChI=1S/C19H19BrN4O/c1-13-19(22-21-17-11-7-6-10-16(17)20)14(2)24(23-13)12-18(25)15-8-4-3-5-9-15/h3-11,18,25H,12H2,1-2H3/b22-21+
InChIKey GRKQHLUTXHHUFO-QURGRASLSA-N
Mol Weight 399.29 g/mol
Molecular Formula C19H19BrN4O
Exact Mass 398.074224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiZGu5l1DzK
Name 4-[(o-Bromophenyl)azo]-3,5-dimethyl-alpha-phenylpyrazole-1-ethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.074224247 u
Formula C19H19BrN4O
InChI InChI=1S/C19H19BrN4O/c1-13-19(22-21-17-11-7-6-10-16(17)20)14(2)24(23-13)12-18(25)15-8-4-3-5-9-15/h3-11,18,25H,12H2,1-2H3/b22-21+
InChIKey GRKQHLUTXHHUFO-QURGRASLSA-N
Molecular Weight 399.292 g/mol
SMILES OC(CN1C(=C(\N=N\C=2C(=CC=CC2)Br)C(=N1)C)C)C=1C=CC=CC1