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Methyl 9-perfluorobutyl-octadecanoate
SpectraBase Compound ID J94lbfI2EkN
InChI InChI=1S/C23H37F9O2/c1-3-4-5-6-7-9-12-15-18(16-13-10-8-11-14-17-19(33)34-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h18H,3-17H2,1-2H3
InChIKey DYHLFSBVLNBXKR-UHFFFAOYSA-N
Mol Weight 516.5 g/mol
Molecular Formula C23H37F9O2
Exact Mass 516.264984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL3MXyStfLd
Name Methyl 9-perfluorobutyl-octadecanoate
Alternate Name(s) Methyl 9-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octadecanoate
CAS Registry Number 138697-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37F9O2
InChI InChI=1S/C23H37F9O2/c1-3-4-5-6-7-9-12-15-18(16-13-10-8-11-14-17-19(33)34-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h18H,3-17H2,1-2H3
InChIKey DYHLFSBVLNBXKR-UHFFFAOYSA-N
Molecular Weight 516.533 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(F)(F)C(CCCCCCCCC)CCCCCCCC(=O)OC)(F)F
SPLASH splash10-00dr-9000000000-f31fd877f00c72432e46
Source of Spectrum U-1992-213-11
Wiley ID 763740