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1H-pyrazol-5-ol, 4-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-3-methyl-
SpectraBase Compound ID GTusqSLKJzD
InChI InChI=1S/C18H17BrN2O2/c1-12-17(11-13-3-5-14(19)6-4-13)18(22)21(20-12)15-7-9-16(23-2)10-8-15/h3-10,22H,11H2,1-2H3
InChIKey TUPOMRPYIJZQHZ-UHFFFAOYSA-N
Mol Weight 373.25 g/mol
Molecular Formula C18H17BrN2O2
Exact Mass 372.047341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoIqPRJCJEb
Name 1H-Pyrazol-5-ol, 4-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.047340793 u
Formula C18H17BrN2O2
InChI InChI=1S/C18H17BrN2O2/c1-12-17(11-13-3-5-14(19)6-4-13)18(22)21(20-12)15-7-9-16(23-2)10-8-15/h3-10,22H,11H2,1-2H3
InChIKey TUPOMRPYIJZQHZ-UHFFFAOYSA-N
Molecular Weight 373.250 g/mol
SMILES OC1=C(CC2=CC=C(C=C2)Br)C(=NN1C1=CC=C(C=C1)OC)C