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(3S,4S)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-methyl-cyclopentane-1,1-dicarboxylic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

(3S,4S)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-methyl-cyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID I0pJ6Ao2d5k
InChI InChI=1S/C21H21F17O4/c1-4-41-11(39)13(12(40)42-5-2)6-9(3)10(7-13)8-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKey LFNBMIKIXJOQCA-ZJUUUORDSA-N
Mol Weight 660.37 g/mol
Molecular Formula C21H21F17O4
Exact Mass 660.116838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iPUOxVBc04
Name (3S,4S)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-methyl-cyclopentane-1,1-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F17O4
InChI InChI=1S/C21H21F17O4/c1-4-41-11(39)13(12(40)42-5-2)6-9(3)10(7-13)8-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKey LFNBMIKIXJOQCA-ZJUUUORDSA-N
Molecular Weight 660.368 g/mol
SMILES C(C(C(C(C(C[C@@]1(CC(C(=O)OCC)(C(=O)OCC)C[C@]1(C)[H])[H])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0006-0090001000-fe1dd5a97d20cd7a101d
Source of Spectrum KC-0-1731-4
Synonyms diethyl (3S,4S)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-methyl-cyclopentane-1,1-dicarboxylate diethyl (3S,4S)-3-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonyl]-4-methyl-cyclopentane-1,1-dicarboxylate
Wiley ID 784051