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3-Iodomethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID J7RD53T3h6j
InChI InChI=1S/C19H20F13IO4/c1-3-36-11(34)13(12(35)37-4-2)5-9(10(6-13)8-33)7-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h9-10H,3-8H2,1-2H3
InChIKey JJZRNXJROCFXOD-UHFFFAOYSA-N
Mol Weight 686.25 g/mol
Molecular Formula C19H20F13IO4
Exact Mass 686.01987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iug4chl1fuA
Name 3-Iodomethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
Appearance Colorless clear liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20F13IO4
InChI InChI=1S/C19H20F13IO4/c1-3-36-11(34)13(12(35)37-4-2)5-9(10(6-13)8-33)7-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h9-10H,3-8H2,1-2H3
InChIKey JJZRNXJROCFXOD-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.903
Molecular Weight 686.249 g/mol
SMILES C(C1CC(C(=O)OCC)(C(=O)OCC)CC1CI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
SPLASH splash10-08g0-1000940000-0b338c0fab80de5d547b
Source of Spectrum ARK-2004-12-5
Wiley ID 1876046