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Diethyl-3,3'-((1,1,1,4,4,4-hexafluorobutane-2,3-diyl)bis(4,1-phenylene))dipropanoate

View entire compound with spectra: 1 MS (GC)

Diethyl-3,3'-((1,1,1,4,4,4-hexafluorobutane-2,3-diyl)bis(4,1-phenylene))dipropanoate
SpectraBase Compound ID 4Q4Y8qJsjhC
InChI InChI=1S/C26H28F6O4/c1-3-35-21(33)15-9-17-5-11-19(12-6-17)23(25(27,28)29)24(26(30,31)32)20-13-7-18(8-14-20)10-16-22(34)36-4-2/h5-8,11-14,23-24H,3-4,9-10,15-16H2,1-2H3
InChIKey NNXBYHPHQOHAHQ-UHFFFAOYSA-N
Mol Weight 518.5 g/mol
Molecular Formula C26H28F6O4
Exact Mass 518.189178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j5HJnBw8x5
Name Diethyl-3,3'-((1,1,1,4,4,4-hexafluorobutane-2,3-diyl)bis(4,1-phenylene))dipropanoate
Alternate Name(s) Diethyl 3,3'-((1,1,1,4,4,4-hexafluorobutane-2,3-diyl)bis(4,1-phenylene))dipropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F6O4
InChI InChI=1S/C26H28F6O4/c1-3-35-21(33)15-9-17-5-11-19(12-6-17)23(25(27,28)29)24(26(30,31)32)20-13-7-18(8-14-20)10-16-22(34)36-4-2/h5-8,11-14,23-24H,3-4,9-10,15-16H2,1-2H3
InChIKey NNXBYHPHQOHAHQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403083e
Molecular Weight 518.496 g/mol
SMILES c1cc(ccc1CCC(OCC)=O)C(C(F)(F)F)C(c1ccc(cc1)CCC(OCC)=O)C(F)(F)F
SPLASH splash10-000i-1920000000-399a4b19356c5801bcca
Source of Spectrum A1-16-102/SM9-4e
Wiley ID 1747630