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3-(4-CHLORO-2-HYDROXYPHENYL)-5-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
SpectraBase Compound ID LUf2W6kySkV
InChI InChI=1S/C27H33Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-16-32-26(22-14-12-20(28)17-24(22)30)19-25(31-32)23-15-13-21(29)18-27(23)33/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey FZSMNFLXGDGYBH-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 1IEshfuOe
Name 3-[2'-Hydroxy-4'-chlorophenyl]-5-(2",4"-dichlorophenyl)-1-dodecylpyrazole
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(22-14-12-20(28)17-24(22)30)19-25(31-32)23-15-13-21(29)18-27(23)33/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey FZSMNFLXGDGYBH-UHFFFAOYSA-N
Molecular Weight 507.933 g/mol
SMILES Oc1c(-c2cc([n](n2)CCCCCCCCCCCC)-c2c(cc(cc2)Cl)Cl)ccc(Cl)c1
SPLASH splash10-0pb9-0009260000-40baac86fabb90cb8e7e
Source of Spectrum AH-138-808-13
Synonyms 5-Chloro-2-[5-(2,4-dichlorophenyl)-1-dodecyl-1H-pyrazol-3-yl]phenol
Wiley ID 1612462