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Methyl 9-Iodo-10-(perfluorobutyl)octadecanecarboxylate
SpectraBase Compound ID IxqMT7SzbwU
InChI InChI=1S/C23H36F9IO2/c1-3-4-5-6-8-11-14-17(18(33)15-12-9-7-10-13-16-19(34)35-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h17-18H,3-16H2,1-2H3
InChIKey WWIZZUAMKNILEF-UHFFFAOYSA-N
Mol Weight 642.4 g/mol
Molecular Formula C23H36F9IO2
Exact Mass 642.161629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3koJ3NOQdM
Name Methyl 9-Iodo-10-(perfluorobutyl)octadecanecarboxylate
CAS Registry Number 138696-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36F9IO2
InChI InChI=1S/C23H36F9IO2/c1-3-4-5-6-8-11-14-17(18(33)15-12-9-7-10-13-16-19(34)35-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h17-18H,3-16H2,1-2H3
InChIKey WWIZZUAMKNILEF-UHFFFAOYSA-N
Molecular Weight 642.429 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(C(I)CCCCCCCC(=O)OC)CCCCCCCC)(F)F)(F)F
SPLASH splash10-0a4l-9000000000-ad5c375794156a6b559d
Source of Spectrum U-1992-212-10
Synonyms Methyl 9-iodo-10-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octadecanoate
Wiley ID 763748