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3-PERFLUOROBUTYL-4,5,6,7-TETRAHYDRO-2-PHENYL-2H-INDAZOLE
SpectraBase Compound ID FDJn8ZwA8d3
InChI InChI=1S/C17H13F9N2/c18-14(19,15(20,21)16(22,23)17(24,25)26)13-11-8-4-5-9-12(11)27-28(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey UTRBEZJNUHDYSD-UHFFFAOYSA-N
Mol Weight 416.29 g/mol
Molecular Formula C17H13F9N2
Exact Mass 416.093502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80YmHWkoQ29
Name 3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazole
Alternate Name(s) 3-(Perfluorobutyl)-4,5,6,7-tetrahydro-2-phenyl-2H-indazole 3-Perluorobutyl-4,5,6,7-tetrahydro-2-phenyl-2H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F9N2
InChI InChI=1S/C17H13F9N2/c18-14(19,15(20,21)16(22,23)17(24,25)26)13-11-8-4-5-9-12(11)27-28(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey UTRBEZJNUHDYSD-UHFFFAOYSA-N
Molecular Weight 416.291 g/mol
SMILES c1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[n](nc2c1CCCC2)-c1ccccc1
SPLASH splash10-014j-2220900000-512e4577409acb4dddd4
Source of Spectrum I-79-190-5
Wiley ID 812961