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phenol, 2-[4,5-dihydro-3-(4-methoxyphenyl)-1-(2-methyl-1-oxopropyl)-1H-pyrazol-5-yl]-

View entire compound with spectra: 2 NMR

phenol, 2-[4,5-dihydro-3-(4-methoxyphenyl)-1-(2-methyl-1-oxopropyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID FTKXF5k4d4t
InChI InChI=1S/C20H22N2O3/c1-13(2)20(24)22-18(16-6-4-5-7-19(16)23)12-17(21-22)14-8-10-15(25-3)11-9-14/h4-11,13,18,23H,12H2,1-3H3
InChIKey VMLNYTBSGBSJTM-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADKKhNle1tQ
Name Phenol, 2-[4,5-dihydro-3-(4-methoxyphenyl)-1-(2-methyl-1-oxopropyl)-1H-pyrazol-5-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.163042573 u
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-13(2)20(24)22-18(16-6-4-5-7-19(16)23)12-17(21-22)14-8-10-15(25-3)11-9-14/h4-11,13,18,23H,12H2,1-3H3
InChIKey VMLNYTBSGBSJTM-UHFFFAOYSA-N
Molecular Weight 338.407 g/mol
SMILES OC=1C(C2N(N=C(C3=CC=C(C=C3)OC)C2)C(=O)C(C)C)=CC=CC1