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6-Aminochrysene, N-chlorodifluoroacetyl-

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6-Aminochrysene, N-chlorodifluoroacetyl-
SpectraBase Compound ID GQLp0YkzRAD
InChI InChI=1S/C20H12ClF2NO/c21-20(22,23)19(25)24-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,24,25)
InChIKey JPAXSQGJSWCGCZ-UHFFFAOYSA-N
Mol Weight 355.77 g/mol
Molecular Formula C20H12ClF2NO
Exact Mass 355.057548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pTOhhenrlw
Name 6-Aminochrysene, N-chlorodifluoroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.057548035 u
Formula C20H12ClF2NO
InChI InChI=1S/C20H12ClF2NO/c21-20(22,23)19(25)24-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,24,25)
InChIKey JPAXSQGJSWCGCZ-UHFFFAOYSA-N
Molecular Weight 355.772 g/mol
SMILES C1=2C(=C3C(=C(C2)NC(C(F)(F)Cl)=O)C=CC=C3)C=CC2=C1C=CC=C2