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trans 2-(2-(4-trifluoromethylphenyl)cyclopropyl)-2,4-dimethylpentan-3-one
SpectraBase Compound ID IUMV54YPZ
InChI InChI=1S/C17H21F3O/c1-10(2)15(21)16(3,4)14-9-13(14)11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13-14H,9H2,1-4H3/t13-,14+/m0/s1
InChIKey NVWUTTBLKXILFN-UONOGXRCSA-N
Mol Weight 298.35 g/mol
Molecular Formula C17H21F3O
Exact Mass 298.15445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeUpLVEXLMu
Name trans 2-(2-(4-trifluoromethylphenyl)cyclopropyl)-2,4-dimethylpentan-3-one
Alternate Name(s) 2,4-Dimethyl-2-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)pentan-3-one
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Formula C17H21F3O
InChI InChI=1S/C17H21F3O/c1-10(2)15(21)16(3,4)14-9-13(14)11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13-14H,9H2,1-4H3/t13-,14+/m0/s1
InChIKey NVWUTTBLKXILFN-UONOGXRCSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 298.349 g/mol
SMILES C(C(=O)C(C)(C)[C@]1([C@@](C1)(c1ccc(cc1)C(F)(F)F)[H])[H])(C)C
SPLASH splash10-00dr-9520000000-b3344899fcda51240592
Source of Spectrum AJO-6-SM8-3u
Wiley ID 1813060