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1H-pyrazol-5-ol, 4-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-
SpectraBase Compound ID 108P2XpWB4t
InChI InChI=1S/C17H14ClFN2O/c1-11-16(10-12-2-4-13(18)5-3-12)17(22)21(20-11)15-8-6-14(19)7-9-15/h2-9,22H,10H2,1H3
InChIKey ZEXLTUVPIDHXOQ-UHFFFAOYSA-N
Mol Weight 316.76 g/mol
Molecular Formula C17H14ClFN2O
Exact Mass 316.077869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nAZTSR9QGS
Name 1H-Pyrazol-5-ol, 4-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.077868941 u
Formula C17H14ClFN2O
InChI InChI=1S/C17H14ClFN2O/c1-11-16(10-12-2-4-13(18)5-3-12)17(22)21(20-11)15-8-6-14(19)7-9-15/h2-9,22H,10H2,1H3
InChIKey ZEXLTUVPIDHXOQ-UHFFFAOYSA-N
Molecular Weight 316.763 g/mol
SMILES OC1=C(CC=2C=CC(=CC2)Cl)C(=NN1C1=CC=C(C=C1)F)C