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N-[2-Nitro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]acetamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-[2-Nitro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]acetamide
SpectraBase Compound ID GgdNGdYyLjq
InChI InChI=1S/C14H7F5N2O4/c1-5(22)20-7-3-2-6(4-8(7)21(23)24)25-14-12(18)10(16)9(15)11(17)13(14)19/h2-4H,1H3,(H,20,22)
InChIKey YXSJREZTZNJYJB-UHFFFAOYSA-N
Mol Weight 362.21 g/mol
Molecular Formula C14H7F5N2O4
Exact Mass 362.032598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LA00NwQ6Pu
Name N-[2-Nitro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 362.032597524 u
Formula C14H7F5N2O4
InChI InChI=1S/C14H7F5N2O4/c1-5(22)20-7-3-2-6(4-8(7)21(23)24)25-14-12(18)10(16)9(15)11(17)13(14)19/h2-4H,1H3,(H,20,22)
InChIKey YXSJREZTZNJYJB-UHFFFAOYSA-N
Molecular Weight 362.212 g/mol
SMILES C1(OC2=CC=C(C(=C2)N(=O)=O)NC(C)=O)=C(F)C(F)=C(C(=C1F)F)F