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Methyl 6-Iodo-7-(perfluorohexyl)octadecanecarboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 6-Iodo-7-(perfluorohexyl)octadecanecarboxylate
SpectraBase Compound ID 6Km41OFEWD6
InChI InChI=1S/C25H36F13IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(39)15-12-13-16-19(40)41-2)20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h17-18H,3-16H2,1-2H3
InChIKey XAABXJMXSNBFCW-UHFFFAOYSA-N
Mol Weight 742.4 g/mol
Molecular Formula C25H36F13IO2
Exact Mass 742.155242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bs71GBcggZF
Name Methyl 6-Iodo-7-(perfluorohexyl)octadecanecarboxylate
Alternate Name(s) Methyl 6-iodo-7-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoate
CAS Registry Number 138696-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36F13IO2
InChI InChI=1S/C25H36F13IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(39)15-12-13-16-19(40)41-2)20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h17-18H,3-16H2,1-2H3
InChIKey XAABXJMXSNBFCW-UHFFFAOYSA-N
Molecular Weight 742.445 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(I)CCCCC(=O)OC)CCCCCCCCCCC)(F)F)(F)F)(F)F
SPLASH splash10-0a4l-9000000000-35501fa0c35e7e4be58d
Source of Spectrum U-1992-212-14
Wiley ID 763745