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Methyl 6-Iodo-7-(perfluorobutyl)octadecanecarboxylate
SpectraBase Compound ID DXMSWX4kWCS
InChI InChI=1S/C23H36F9IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(33)15-12-13-16-19(34)35-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h17-18H,3-16H2,1-2H3
InChIKey LSAAKHIGVUQDAX-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 2xHkVrce816
Name Methyl 6-Iodo-7-(perfluorobutyl)octadecanecarboxylate
CAS Registry Number 138696-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36F9IO2
InChI InChI=1S/C23H36F9IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(33)15-12-13-16-19(34)35-2)20(24,25)21(26,27)22(28,29)23(30,31)32/h17-18H,3-16H2,1-2H3
InChIKey LSAAKHIGVUQDAX-UHFFFAOYSA-N
Molecular Weight 642.429 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(C(I)CCCCC(=O)OC)CCCCCCCCCCC)(F)F)(F)F
SPLASH splash10-0a4l-9000000000-9619d64ee2efac828057
Source of Spectrum U-1992-212-14
Synonyms Methyl 6-iodo-7-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octadecanoate
Wiley ID 763746