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3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluoro-2-pentyl-2-octenal isomer

View entire compound with spectra: 1 MS (GC)

3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluoro-2-pentyl-2-octenal isomer
SpectraBase Compound ID LyUPDb3lbEC
InChI InChI=1S/C13H12F12O/c1-2-3-4-5-7(6-26)8(14)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)25/h6H,2-5H2,1H3/b8-7-
InChIKey SIPHTAACLPGCEZ-FPLPWBNLSA-N
Mol Weight 412.22 g/mol
Molecular Formula C13H12F12O
Exact Mass 412.069653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tsYoJ6634j
Name 3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluoro-2-pentyl-2-octenal isomer
Alternate Name(s) (2Z)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-2-pentyl-2-octenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F12O
InChI InChI=1S/C13H12F12O/c1-2-3-4-5-7(6-26)8(14)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)25/h6H,2-5H2,1H3/b8-7-
InChIKey SIPHTAACLPGCEZ-FPLPWBNLSA-N
Molecular Weight 412.219 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(\C(=C\(C=O)CCCCC)F)(F)F)(F)F
SPLASH splash10-0006-5900000000-ccd94d45fb2fb01b12f8
Source of Spectrum AJ-64-1549-21
Wiley ID 1374246