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Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID 4mzd1AfvPzj
InChI InChI=1S/C15H18F12O2/c1-2-3-4-5-6-7-9(28)29-8-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h10H,2-8H2,1H3
InChIKey ZBQGYLOCTOSSHS-UHFFFAOYSA-N
Mol Weight 458.29 g/mol
Molecular Formula C15H18F12O2
Exact Mass 458.111518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KOSBATlXVy
Name Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
CAS Registry Number 18770-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18F12O2
InChI InChI=1S/C15H18F12O2/c1-2-3-4-5-6-7-9(28)29-8-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h10H,2-8H2,1H3
InChIKey ZBQGYLOCTOSSHS-UHFFFAOYSA-N
Molecular Weight 458.288 g/mol
SMILES C(CCCCCCC)(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-00r6-9103000000-0d64f53592addba5f38d
Source of Spectrum JX-2015-6-1115
Synonyms 1,1,7-Trihydroperfluoroheptyl octanoate 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptyl octanoate Caprylic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester Octanoic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Wiley ID 1727969