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2-Trifluoromethyl-1,3-cyclopentanedione
SpectraBase Compound ID J78iPKG0Us5
InChI InChI=1S/C6H5F3O2/c7-6(8,9)5-3(10)1-2-4(5)11/h5H,1-2H2
InChIKey MKIDRGJURJRSEB-UHFFFAOYSA-N
Mol Weight 166.1 g/mol
Molecular Formula C6H5F3O2
Exact Mass 166.024164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGMuEyUGUUZ
Name 2-Trifluoromethyl-1,3-cyclopentanedione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5F3O2
InChI InChI=1S/C6H5F3O2/c7-6(8,9)5-3(10)1-2-4(5)11/h5H,1-2H2
InChIKey MKIDRGJURJRSEB-UHFFFAOYSA-N
Molecular Weight 166.099 g/mol
SMILES C1(C(C(CC1)=O)C(F)(F)F)=O
SPLASH splash10-0aor-9500000000-2b5579eb6fb12f88e049
Source of Spectrum SO-0-1120-4
Synonyms 2-(trifluoromethyl)cyclopentane-1,3-dione 2-(trifluoromethyl)cyclopentane-1,3-quinone
Wiley ID 1538737