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2,3-DIMETHYL-4-{[(threo-beta-HYDROXY-alpha-METHYLPHENETHYL)METHYLAMINO]METHYL}-1-PHENYL-3-PYRAZOLIN-5-ONE
SpectraBase Compound ID mKSpTcFNgv
InChI InChI=1S/C22H27N3O2/c1-16-20(22(27)25(24(16)4)19-13-9-6-10-14-19)15-23(3)17(2)21(26)18-11-7-5-8-12-18/h5-14,17,21,26H,15H2,1-4H3/t17-,21-/s2
InChIKey DGXGZSNUTLWSLB-LOZPKSJASA-N
Mol Weight 365.48 g/mol
Molecular Formula C22H27N3O2
Exact Mass 365.210327 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 92ooEJjllqZ
Name 2,3-DIMETHYL-4-{[(threo-beta-HYDROXY-alpha-METHYLPHENETHYL)METHYLAMINO]METHYL}-1-PHENYL-3-PYRAZOLIN-5-ONE
Source of Sample M. Neugebauer, University of Bonn, Bonn, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O2
InChI InChI=1S/C22H27N3O2/c1-16-20(22(27)25(24(16)4)19-13-9-6-10-14-19)15-23(3)17(2)21(26)18-11-7-5-8-12-18/h5-14,17,21,26H,15H2,1-4H3/t17-,21-/s2
InChIKey DGXGZSNUTLWSLB-LOZPKSJASA-N
Literature Reference ARCH. PHARM. 315, 839(1982) Abstract-Chemical Abstracts= 98, 16174U(1983)
Melting Point 132-134C
Molecular Weight 365.476990
Synonyms 3-PYRAZOLIN-5-ONE, 2,3-DIMETHYL- 4-///THREO-B-HYDROXY-A-METHYLPHEN- ETHYL/METHYLAMINO-METHYL/-1-PHENYL-,
Technique KBr WAFER