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6-Aminochrysene, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

6-Aminochrysene, N-heptafluorobutyryl-
SpectraBase Compound ID 5sVfB6Fk1ie
InChI InChI=1S/C22H12F7NO/c23-20(24,21(25,26)22(27,28)29)19(31)30-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,30,31)
InChIKey JEIFYVMCNILXLR-UHFFFAOYSA-N
Mol Weight 439.33 g/mol
Molecular Formula C22H12F7NO
Exact Mass 439.080711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3SdslntcFW
Name 6-Aminochrysene, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.080711150 u
Formula C22H12F7NO
InChI InChI=1S/C22H12F7NO/c23-20(24,21(25,26)22(27,28)29)19(31)30-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,30,31)
InChIKey JEIFYVMCNILXLR-UHFFFAOYSA-N
Molecular Weight 439.333 g/mol
SMILES C1=2C(=C3C(=C(C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C3)C=CC2=C1C=CC=C2