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2-Iodo-N-phenyl-benzamide, N-heptafluorobutyryl-

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2-Iodo-N-phenyl-benzamide, N-heptafluorobutyryl-
SpectraBase Compound ID 5Hzfr1xmSmJ
InChI InChI=1S/C17H9F7INO2/c18-15(19,16(20,21)17(22,23)24)14(28)26(10-6-2-1-3-7-10)13(27)11-8-4-5-9-12(11)25/h1-9H
InChIKey WYLQGPOAGCEMQF-UHFFFAOYSA-N
Mol Weight 519.16 g/mol
Molecular Formula C17H9F7INO2
Exact Mass 518.956621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CudxEE2Gwo
Name 2-Iodo-N-phenyl-benzamide, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.956620673 u
Formula C17H9F7INO2
InChI InChI=1S/C17H9F7INO2/c18-15(19,16(20,21)17(22,23)24)14(28)26(10-6-2-1-3-7-10)13(27)11-8-4-5-9-12(11)25/h1-9H
InChIKey WYLQGPOAGCEMQF-UHFFFAOYSA-N
Molecular Weight 519.157 g/mol
SMILES C1(=CC=CC=C1I)C(N(C1=CC=CC=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F)=O