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5-Methyl-4-[4-(trifluoromethyl)phenyl]-2-hexanone
SpectraBase Compound ID yZMRIVXuko
InChI InChI=1S/C14H17F3O/c1-9(2)13(8-10(3)18)11-4-6-12(7-5-11)14(15,16)17/h4-7,9,13H,8H2,1-3H3
InChIKey SPWFRUWDNPCXGR-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H17F3O
Exact Mass 258.12315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KPjb4ftsE5
Name 5-Methyl-4-[4-(trifluoromethyl)phenyl]-2-hexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O
InChI InChI=1S/C14H17F3O/c1-9(2)13(8-10(3)18)11-4-6-12(7-5-11)14(15,16)17/h4-7,9,13H,8H2,1-3H3
InChIKey SPWFRUWDNPCXGR-UHFFFAOYSA-N
Molecular Weight 258.284 g/mol
SMILES C(c1ccc(C(CC(=O)C)C(C)C)cc1)(F)(F)F
SPLASH splash10-0udi-0090000000-6685c9f6cf916e39cfa1
Source of Spectrum F-68-1610-9b
Wiley ID 1707747