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5-(4-CHLORO-2-HYDROXYPHENYL)-3-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
SpectraBase Compound ID 8l67PD0AUNR
InChI InChI=1S/C27H33Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-16-32-26(23-15-13-21(29)18-27(23)33)19-25(31-32)22-14-12-20(28)17-24(22)30/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey ONQAUKLVHZENSF-UHFFFAOYSA-N
Mol Weight 507.9 g/mol
Molecular Formula C27H33Cl3N2O
Exact Mass 506.165847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0hm3isbxmb
Name 5-[2'-Hydroxy-4'-chlorophenyl]-3-(2",4"-dichlorophenyl)-1-dodecylpyrazole
Alternate Name(s) 5-Chloro-2-[3-(2,4-dichlorophenyl)-1-dodecyl-1H-pyrazol-5-yl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33Cl3N2O
InChI InChI=1S/C27H33Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-16-32-26(23-15-13-21(29)18-27(23)33)19-25(31-32)22-14-12-20(28)17-24(22)30/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey ONQAUKLVHZENSF-UHFFFAOYSA-N
Molecular Weight 507.933 g/mol
SMILES Oc1c(-c2cc(-c3c(cc(cc3)Cl)Cl)n[n]2CCCCCCCCCCCC)ccc(Cl)c1
SPLASH splash10-1009-1009040000-c266a8d42560b1b3e4cb
Source of Spectrum AH-138-809-14
Wiley ID 1612458