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Pentadecafluorooctanoylamide, N-benzyl-N-isobutyl-
SpectraBase Compound ID AMlMswAiZgh
InChI InChI=1S/C19H16F15NO/c1-10(2)8-35(9-11-6-4-3-5-7-11)12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-7,10H,8-9H2,1-2H3
InChIKey QGXYUVCMEUHFFD-UHFFFAOYSA-N
Mol Weight 559.32 g/mol
Molecular Formula C19H16F15NO
Exact Mass 559.099237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EOSoV3dUUo
Name Pentadecafluorooctanoylamide, N-benzyl-N-isobutyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 559.099236583 u
Formula C19H16F15NO
InChI InChI=1S/C19H16F15NO/c1-10(2)8-35(9-11-6-4-3-5-7-11)12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-7,10H,8-9H2,1-2H3
InChIKey QGXYUVCMEUHFFD-UHFFFAOYSA-N
Molecular Weight 559.319 g/mol
SMILES C1=CC=C(C=C1)CN(C(=O)C(C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(C)C