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1-(2,4-Dinitrophenyl)-5-isopropylpyrazole-3-carboxylic acid, octyl ester
SpectraBase Compound ID HsU1ZI1Y3R0
InChI InChI=1S/C21H28N4O6/c1-4-5-6-7-8-9-12-31-21(26)17-14-19(15(2)3)23(22-17)18-11-10-16(24(27)28)13-20(18)25(29)30/h10-11,13-15H,4-9,12H2,1-3H3
InChIKey WTQRIVYXJIQEEZ-UHFFFAOYSA-N
Mol Weight 432.48 g/mol
Molecular Formula C21H28N4O6
Exact Mass 432.200885 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Gl1VuxZBazR
Name 1-(2,4-DINITROPHENYL)-5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID, OCTYL ESTER
Source of Sample H. Keskin, University of Istanbul, Istanbul, Turkey
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N4O6
InChI InChI=1S/C21H28N4O6/c1-4-5-6-7-8-9-12-31-21(26)17-14-19(15(2)3)23(22-17)18-11-10-16(24(27)28)13-20(18)25(29)30/h10-11,13-15H,4-9,12H2,1-3H3
InChIKey WTQRIVYXJIQEEZ-UHFFFAOYSA-N
Melting Point 117.5-118C
Molecular Weight 432.476990
Synonyms PYRAZOLE-3-CARBOXYLIC ACID, 1-/2,4-DINITROPHENYL/-5-ISOPROPYL-, OCTYL ESTER
Technique KBr WAFER