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N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

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N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SpectraBase Compound ID 1MR5oRHAmDa
InChI InChI=1S/C16H7F16N3O/c17-7(18)10(19,20)12(23,24)14(27,28)16(31,32)15(29,30)13(25,26)11(21,22)8(36)35-9-33-5-3-1-2-4-6(5)34-9/h1-4,7H,(H2,33,34,35,36)
InChIKey MEWVJBQZMCEHBK-UHFFFAOYSA-N
Mol Weight 561.23 g/mol
Molecular Formula C16H7F16N3O
Exact Mass 561.033362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SSGcQqsvXE
Name N-(1H-Benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.033362464 u
Formula C16H7F16N3O
InChI InChI=1S/C16H7F16N3O/c17-7(18)10(19,20)12(23,24)14(27,28)16(31,32)15(29,30)13(25,26)11(21,22)8(36)35-9-33-5-3-1-2-4-6(5)34-9/h1-4,7H,(H2,33,34,35,36)
InChIKey MEWVJBQZMCEHBK-UHFFFAOYSA-N
Molecular Weight 561.226 g/mol
SMILES N(C1=NC=2C=CC=CC2N1)C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O