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Diethyl 2-(1-([1,1'-biphenyl]-4-yl)-3,3,4,4,5,5,6,6,6-nonafluorohexyl)malonate
SpectraBase Compound ID LQvyRUGrInk
InChI InChI=1S/C25H23F9O4/c1-3-37-20(35)19(21(36)38-4-2)18(14-22(26,27)23(28,29)24(30,31)25(32,33)34)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-19H,3-4,14H2,1-2H3
InChIKey UMEGZIUOANOOIC-UHFFFAOYSA-N
Mol Weight 558.44 g/mol
Molecular Formula C25H23F9O4
Exact Mass 558.145263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45fSQoMMyvS
Name Diethyl 2-(1-([1,1'-biphenyl]-4-yl)-3,3,4,4,5,5,6,6,6-nonafluorohexyl)malonate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23F9O4
InChI InChI=1S/C25H23F9O4/c1-3-37-20(35)19(21(36)38-4-2)18(14-22(26,27)23(28,29)24(30,31)25(32,33)34)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,18-19H,3-4,14H2,1-2H3
InChIKey UMEGZIUOANOOIC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202010839
Molecular Weight 558.441 g/mol
SMILES C(C)OC(C(C(=O)OCC)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)-c1ccccc1)=O
SPLASH splash10-05rs-0923410000-fadd3989191a7ca19759
Source of Spectrum ACI-60-SM24-3ca
Wiley ID 1880187