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5-(4-tButylphenyl)-4-chloro-1-methyl-3-(4-nitrophenyl)-1H-pyrazole
SpectraBase Compound ID OFbWlFmhKM
InChI InChI=1S/C20H20ClN3O2/c1-20(2,3)15-9-5-14(6-10-15)19-17(21)18(22-23(19)4)13-7-11-16(12-8-13)24(25)26/h5-12H,1-4H3
InChIKey KBDFSDKASCSKIN-UHFFFAOYSA-N
Mol Weight 369.85 g/mol
Molecular Formula C20H20ClN3O2
Exact Mass 369.124405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtSlb7EyIho
Name 5-(4-tButylphenyl)-4-chloro-1-methyl-3-(4-nitrophenyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClN3O2
InChI InChI=1S/C20H20ClN3O2/c1-20(2,3)15-9-5-14(6-10-15)19-17(21)18(22-23(19)4)13-7-11-16(12-8-13)24(25)26/h5-12H,1-4H3
InChIKey KBDFSDKASCSKIN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2004947
Molecular Weight 369.852 g/mol
SMILES c1(n[n](c(c1Cl)-c1ccc(cc1)C(C)(C)C)C)-c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-1000-0119000000-52a00c98f6575af845df
Source of Spectrum A1-13-2082/SMSI5-2c
Synonyms 5-(4-(tert-butyl)phenyl)-4-chloro-1-methyl-3-(4-nitrophenyl)-1H-pyrazole 5-(4-tert-butylphenyl)-4-chloranyl-1-methyl-3-(4-nitrophenyl)pyrazole
Wiley ID 1753142