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2-Butyl-4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)pyridine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Butyl-4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)pyridine
SpectraBase Compound ID BeOVAh6sEnq
InChI InChI=1S/C21H20F17N/c1-2-3-7-13-11-12(8-10-39-13)6-4-5-9-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h8,10-11H,2-7,9H2,1H3
InChIKey YYSHJCIQCFVSDH-UHFFFAOYSA-N
Mol Weight 609.37 g/mol
Molecular Formula C21H20F17N
Exact Mass 609.132428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cg1eN204BOB
Name 2-Butyl-4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.132428419 u
Formula C21H20F17N
InChI InChI=1S/C21H20F17N/c1-2-3-7-13-11-12(8-10-39-13)6-4-5-9-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h8,10-11H,2-7,9H2,1H3
InChIKey YYSHJCIQCFVSDH-UHFFFAOYSA-N
Molecular Weight 609.371 g/mol
SMILES C=1(C=C(C=CN1)CCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC