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3-(5-chloro-2,2,3,3,4,4,5,5-octafluoro-pentyl)-4-(iodomethyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID J5GFSs7pUgi
InChI InChI=1S/C17H20ClF8IO4/c1-3-30-11(28)13(12(29)31-4-2)5-9(10(6-13)8-27)7-14(19,20)15(21,22)16(23,24)17(18,25)26/h9-10H,3-8H2,1-2H3
InChIKey SJSYGLIRNHYRIS-UHFFFAOYSA-N
Mol Weight 602.69 g/mol
Molecular Formula C17H20ClF8IO4
Exact Mass 601.996707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HvmgV8K8We
Name 3-(5-chloro-2,2,3,3,4,4,5,5-octafluoro-pentyl)-4-(iodomethyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H20ClF8IO4
InChI InChI=1S/C17H20ClF8IO4/c1-3-30-11(28)13(12(29)31-4-2)5-9(10(6-13)8-27)7-14(19,20)15(21,22)16(23,24)17(18,25)26/h9-10H,3-8H2,1-2H3
InChIKey SJSYGLIRNHYRIS-UHFFFAOYSA-N
Molecular Weight 602.688 g/mol
SMILES C(C(C(F)(F)Cl)(F)F)(C(CC1CC(C(=O)OCC)(C(=O)OCC)CC1CI)(F)F)(F)F
SPLASH splash10-0uk9-0000609000-0e7b84fe1e90bafcf90c
Source of Spectrum KC-0-1731-3
Synonyms diethyl 3-(5-chloro-2,2,3,3,4,4,5,5-octafluoro-pentyl)-4-(iodomethyl)cyclopentane-1,1-dicarboxylate diethyl 3-[5-chloranyl-2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl]-4-(iodanylmethyl)cyclopentane-1,1-dicarboxylate 3-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentyl)-4-(iodomethyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
Wiley ID 784058