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[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-but-2-enoate
SpectraBase Compound ID JeIRHevwKFY
InChI InChI=1S/C19H15F13O2/c1-2-3-13(33)34-10-12-6-4-11(5-7-12)8-9-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h2-7H,8-10H2,1H3/b3-2+
InChIKey PQTPXDGOAWYJIK-NSCUHMNNSA-N
Mol Weight 522.31 g/mol
Molecular Formula C19H15F13O2
Exact Mass 522.086446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD3JqVBkqSn
Name [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl (E)-but-2-enoate
Alternate Name(s) [4-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]phenyl]methyl (E)-but-2-enoate (E)-2-butenoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methyl ester
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Formula C19H15F13O2
InChI InChI=1S/C19H15F13O2/c1-2-3-13(33)34-10-12-6-4-11(5-7-12)8-9-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h2-7H,8-10H2,1H3/b3-2+
InChIKey PQTPXDGOAWYJIK-NSCUHMNNSA-N
Molecular Weight 522.306 g/mol
SMILES C(C(C(C(CCc1ccc(cc1)COC(\C=C\C)=O)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-014i-9100210000-61f2c47a9510c8221786
Source of Spectrum KC-57-5249-5
Wiley ID 1624593