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4-[1-[1,1,4,4-tetramethyl-7-(trifluoromethyl)tetralin-6-yl]vinyl]benzoic acid methyl ester
SpectraBase Compound ID 5eaNSFUQK9a
InChI InChI=1S/C25H27F3O2/c1-15(16-7-9-17(10-8-16)22(29)30-6)18-13-20-21(14-19(18)25(26,27)28)24(4,5)12-11-23(20,2)3/h7-10,13-14H,1,11-12H2,2-6H3
InChIKey LWKHGKIQNVLEMG-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C25H27F3O2
Exact Mass 416.196315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D96sC9tFynn
Name 4-[1-[1,1,4,4-tetramethyl-7-(trifluoromethyl)tetralin-6-yl]vinyl]benzoic acid methyl ester
Alternate Name(s) 4-[1-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid methyl ester Methyl 4-[1-[1,1,4,4-tetramethyl-7-(trifluoromethyl)tetralin-6-yl]vinyl]benzoate Methyl 4-[1-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate
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Formula C25H27F3O2
InChI InChI=1S/C25H27F3O2/c1-15(16-7-9-17(10-8-16)22(29)30-6)18-13-20-21(14-19(18)25(26,27)28)24(4,5)12-11-23(20,2)3/h7-10,13-14H,1,11-12H2,2-6H3
InChIKey LWKHGKIQNVLEMG-UHFFFAOYSA-N
Molecular Weight 416.484 g/mol
SMILES c1(c(C(F)(F)F)cc2c(c1)C(CCC2(C)C)(C)C)C(c1ccc(C(=O)OC)cc1)=C
SPLASH splash10-0w29-1402900000-96a6d0cb9cb007887a07
Source of Spectrum KC-0-3056-18
Wiley ID 823703