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(S)-trans 2-(2'-(4-(trifluoromethyl)phenyl)cyclopropyl)-4,4-dimethylpentan-3-one
SpectraBase Compound ID 24aCqmEpMx5
InChI InChI=1S/C17H21F3O/c1-10(15(21)16(2,3)4)13-9-14(13)11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13-14H,9H2,1-4H3/t10-,13-,14-/m0/s1
InChIKey VATXBGILOTWBKD-BPNCWPANSA-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 ET1II0sj8md
Name (S)-trans 2-(2'-(4-(trifluoromethyl)phenyl)cyclopropyl)-4,4-dimethylpentan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21F3O
InChI InChI=1S/C17H21F3O/c1-10(15(21)16(2,3)4)13-9-14(13)11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13-14H,9H2,1-4H3/t10-,13-,14-/m0/s1
InChIKey VATXBGILOTWBKD-BPNCWPANSA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 298.349 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1ccc(cc1)C(F)(F)F)[H])[H])(C)[H])=O)(C)(C)C
SPLASH splash10-0a4i-9100000000-e4bd53f89aebc345de88
Source of Spectrum AJO-6-SM3-3c
Synonyms (S)-2,2-dimethyl-4-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)pentan-3-one
Wiley ID 1813042