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1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3-bromo-5-chloro-2-hydroxy-4-methylphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline

View entire compound with spectra: 1 MS (GC)

1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3-bromo-5-chloro-2-hydroxy-4-methylphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
SpectraBase Compound ID 85x3pDTYRTq
InChI InChI=1S/C26H23BrCl3N5OS/c1-3-4-5-21-32-23(25(30)33-21)20-11-18(16-10-17(29)13(2)22(27)24(16)36)34-35(20)26-31-19(12-37-26)14-6-8-15(28)9-7-14/h6-10,12,20,36H,3-5,11H2,1-2H3,(H,32,33)
InChIKey MYQQGYNRKVLQJF-UHFFFAOYSA-N
Mol Weight 639.83 g/mol
Molecular Formula C26H23BrCl3N5OS
Exact Mass 636.987228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jiC1Fa15HT
Name 1-(4-(4'-chlorophenyl)-2-thiazolyl)-3-(3-bromo-5-chloro-2-hydroxy-4-methylphenyl)-5-(2-butyl-4-chloro-1H-imidazol-5yl)-2-pyrazoline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23BrCl3N5OS
InChI InChI=1S/C26H23BrCl3N5OS/c1-3-4-5-21-32-23(25(30)33-21)20-11-18(16-10-17(29)13(2)22(27)24(16)36)34-35(20)26-31-19(12-37-26)14-6-8-15(28)9-7-14/h6-10,12,20,36H,3-5,11H2,1-2H3,(H,32,33)
InChIKey MYQQGYNRKVLQJF-UHFFFAOYSA-N
Molecular Weight 639.827 g/mol
SMILES [nH]1c(nc(c1C1N(N=C(c2c(c(c(c(c2)Cl)C)Br)O)C1)c1nc(-c2ccc(cc2)Cl)cs1)Cl)CCCC
SPLASH splash10-0006-0000009000-fb8bea797097cd57bb92
Source of Spectrum F2-45-390-3g
Wiley ID 1688825