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2-Phenyl-3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazole
SpectraBase Compound ID HpZfWOvkmmQ
InChI InChI=1S/C20H25F3N2/c21-20(22,23)19-17-14-10-5-3-1-2-4-6-11-15-18(17)24-25(19)16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2
InChIKey LMXHUISEBUQELH-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C20H25F3N2
Exact Mass 350.196983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xEPHVTtWr6
Name 2-Phenyl-3-(trifluoromethyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F3N2
InChI InChI=1S/C20H25F3N2/c21-20(22,23)19-17-14-10-5-3-1-2-4-6-11-15-18(17)24-25(19)16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2
InChIKey LMXHUISEBUQELH-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB01151E
Molecular Weight 350.429 g/mol
SMILES c12n[n](c(c2CCCCCCCCCC1)C(F)(F)F)-c1ccccc1
SPLASH splash10-0udl-1096000000-cf1fd12eb91416b27a7e
Source of Spectrum F5-13-8285-4s
Wiley ID 1806993