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1,1,1,2,2-pentafluorodocosan-3-one
SpectraBase Compound ID kOLieQxDq5
InChI InChI=1S/C22H39F5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(28)21(23,24)22(25,26)27/h2-19H2,1H3
InChIKey FDLAHKAEKPXHGB-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C22H39F5O
Exact Mass 414.292107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1DiW2qnvR5
Name 1,1,1,2,2-pentafluorodocosan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39F5O
InChI InChI=1S/C22H39F5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(28)21(23,24)22(25,26)27/h2-19H2,1H3
InChIKey FDLAHKAEKPXHGB-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5987
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(20000615)14_11_960
Molecular Weight 414.545 g/mol
SMILES CCCCCCCCCCCCCCCCCCCC(C(C(F)(F)F)(F)F)=O
SPLASH splash10-00y1-9210000000-1f26e3a67c9c0378848f
Source of Spectrum RCM-14-963-Fig. 3 (a)
Wiley ID 1836258