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1-[3'-(t-Butyl)-4'-hydroxy-5'-methylbenzyl]-3,5-bis(trifluoromethyl)-pyrazole
SpectraBase Compound ID 5Voa6QEIf11
InChI InChI=1S/C17H18F6N2O/c1-9-5-10(6-11(14(9)26)15(2,3)4)8-25-13(17(21,22)23)7-12(24-25)16(18,19)20/h5-7,26H,8H2,1-4H3
InChIKey CZZPEFXKORCYTD-UHFFFAOYSA-N
Mol Weight 380.33 g/mol
Molecular Formula C17H18F6N2O
Exact Mass 380.132332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CTxmfsQoZm
Name 1-[3'-(t-Butyl)-4'-hydroxy-5'-methylbenzyl]-3,5-bis(trifluoromethyl)-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18F6N2O
InChI InChI=1S/C17H18F6N2O/c1-9-5-10(6-11(14(9)26)15(2,3)4)8-25-13(17(21,22)23)7-12(24-25)16(18,19)20/h5-7,26H,8H2,1-4H3
InChIKey CZZPEFXKORCYTD-UHFFFAOYSA-N
Molecular Weight 380.334 g/mol
SMILES Oc1c(cc(C[n]2c(cc(C(F)(F)F)n2)C(F)(F)F)cc1C(C)(C)C)C
SPLASH splash10-02t9-0409000000-f3ac6a51b250d13b3047
Source of Spectrum QA-71-325-2
Synonyms 4-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-tert-butyl-6-methylphenol
Wiley ID 1612114