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Perfluoro-[1,3,5-tris(t-butyl)-1-methylpenta-1,2-dien-4-yne]
SpectraBase Compound ID AdqfzbC5z9h
InChI InChI=1S/C18F30/c19-9(20,21)5(8(16(40,41)42,17(43,44)45)18(46,47)48)3-4(7(13(31,32)33,14(34,35)36)15(37,38)39)1-2-6(10(22,23)24,11(25,26)27)12(28,29)30
InChIKey DTPNPKNTVVKIIG-UHFFFAOYSA-N
Mol Weight 786.15 g/mol
Molecular Formula C18F30
Exact Mass 785.952095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZWxl2D6V7X
Name Perfluoro-[1,3,5-tris(t-butyl)-1-methylpenta-1,2-dien-4-yne]
Alternate Name(s) 1,1,1,9,9,9-hexafluoro-5-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-2,2,3,8,8-pentakis(trifluoromethyl)-3,4-nonadien-6-yne
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Formula C18F30
InChI InChI=1S/C18F30/c19-9(20,21)5(8(16(40,41)42,17(43,44)45)18(46,47)48)3-4(7(13(31,32)33,14(34,35)36)15(37,38)39)1-2-6(10(22,23)24,11(25,26)27)12(28,29)30
InChIKey DTPNPKNTVVKIIG-UHFFFAOYSA-N
Molecular Weight 786.150 g/mol
SMILES C(C(=C=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C#CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-014i-9000001100-ff9e41624b5649e46a37
Source of Spectrum F9-1995-575-4
Wiley ID 1566967