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Methyl 9-perfluorooctyl-octadecanoate

View entire compound with spectra: 1 MS (GC)

Methyl 9-perfluorooctyl-octadecanoate
SpectraBase Compound ID gaAZL6riy6
InChI InChI=1S/C27H37F17O2/c1-3-4-5-6-7-9-12-15-18(16-13-10-8-11-14-17-19(45)46-2)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h18H,3-17H2,1-2H3
InChIKey XLGUBXOHOHSPME-UHFFFAOYSA-N
Mol Weight 716.6 g/mol
Molecular Formula C27H37F17O2
Exact Mass 716.252209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LreKUK4w6dw
Name Methyl 9-perfluorooctyl-octadecanoate
Alternate Name(s) Methyl 9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)octadecanoate
CAS Registry Number 138697-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37F17O2
InChI InChI=1S/C27H37F17O2/c1-3-4-5-6-7-9-12-15-18(16-13-10-8-11-14-17-19(45)46-2)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h18H,3-17H2,1-2H3
InChIKey XLGUBXOHOHSPME-UHFFFAOYSA-N
Molecular Weight 716.564 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)C(CCCCCCCCC)CCCCCCCC(=O)OC)(F)F)(F)F)(F)F
SPLASH splash10-00e0-9100000000-23bc8f6fa2a6af19ae56
Source of Spectrum U-1992-213-11
Wiley ID 763738