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[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl (E)-but-2-enoate
SpectraBase Compound ID CASisTtoa2A
InChI InChI=1S/C21H15F17O2/c1-2-3-13(39)40-10-12-6-4-11(5-7-12)8-9-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-7H,8-10H2,1H3/b3-2+
InChIKey YRLVMNGVCGIHBJ-NSCUHMNNSA-N
Mol Weight 622.32 g/mol
Molecular Formula C21H15F17O2
Exact Mass 622.080058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcOPojO36x6
Name [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl (E)-but-2-enoate
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Formula C21H15F17O2
InChI InChI=1S/C21H15F17O2/c1-2-3-13(39)40-10-12-6-4-11(5-7-12)8-9-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-7H,8-10H2,1H3/b3-2+
InChIKey YRLVMNGVCGIHBJ-NSCUHMNNSA-N
Molecular Weight 622.322 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(CCc1ccc(cc1)COC(\C=C\C)=O)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0699-8856094000-908ca41301ed26eff35d
Source of Spectrum KC-57-5250-5
Synonyms [4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]phenyl]methyl (E)-but-2-enoate (E)-2-butenoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl ester
Wiley ID 1624590