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4-(1'-N-H-5'-(4''-Methoxybenzyl)pyrazolin-3'-ylacetoacetamido)thymol
SpectraBase Compound ID AzR1Tylbjhy
InChI InChI=1S/C22H27N3O3/c1-13(2)18-12-19(14(3)9-21(18)26)23-22(27)11-16-10-20(25-24-16)15-5-7-17(28-4)8-6-15/h5-9,12-13,20,25-26H,10-11H2,1-4H3,(H,23,27)
InChIKey OMPKOAVSAUNONS-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C22H27N3O3
Exact Mass 381.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5in1He2JfX
Name 4-(1'-N-H-5'-(4''-Methoxybenzyl)pyrazolin-3'-ylacetoacetamido)thymol
Alternate Name(s) N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetamide N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetamide 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O3
InChI InChI=1S/C22H27N3O3/c1-13(2)18-12-19(14(3)9-21(18)26)23-22(27)11-16-10-20(25-24-16)15-5-7-17(28-4)8-6-15/h5-9,12-13,20,25-26H,10-11H2,1-4H3,(H,23,27)
InChIKey OMPKOAVSAUNONS-UHFFFAOYSA-N
Molecular Weight 381.476 g/mol
SMILES N1C(CC(CC(Nc2c(cc(c(c2)C(C)C)O)C)=O)=N1)c1ccc(cc1)OC
SPLASH splash10-000f-3963000000-3d6521447fd3adac7a43
Source of Spectrum Y1-42-385-5
Wiley ID 1565192