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[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl)phenyl]methanol
SpectraBase Compound ID 1Ua4VWR9C9Q
InChI InChI=1S/C19H11F21O/c20-10(21,6-5-8-1-3-9(7-41)4-2-8)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h1-4,41H,5-7H2
InChIKey CGSFWLGDVYOZGC-UHFFFAOYSA-N
Mol Weight 654.26 g/mol
Molecular Formula C19H11F21O
Exact Mass 654.047456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56INFDXAZ94
Name [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl)phenyl]methanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.047456396 u
Formula C19H11F21O
InChI InChI=1S/C19H11F21O/c20-10(21,6-5-8-1-3-9(7-41)4-2-8)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h1-4,41H,5-7H2
InChIKey CGSFWLGDVYOZGC-UHFFFAOYSA-N
Molecular Weight 654.262 g/mol
SMILES C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(CCC1=CC=C(C=C1)CO)(F)F)(F)F)(F)F)(F)F)(F)F