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N-(2,3-Dichlorophenyl)cyclopentanecarboxamide, tfa derivative

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N-(2,3-Dichlorophenyl)cyclopentanecarboxamide, tfa derivative
SpectraBase Compound ID 7rMAQ5Njen4
InChI InChI=1S/C14H12Cl2F3NO2/c15-9-6-3-7-10(11(9)16)20(13(22)14(17,18)19)12(21)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKey DQNJPVWJAPMLDH-UHFFFAOYSA-N
Mol Weight 354.16 g/mol
Molecular Formula C14H12Cl2F3NO2
Exact Mass 353.019719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hj34AsS6810
Name N-(2,3-Dichlorophenyl)cyclopentanecarboxamide, tfa derivative
Comments Computed using HOSE algorithm
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Exact Mass 353.019718517 u
Formula C14H12Cl2F3NO2
InChI InChI=1S/C14H12Cl2F3NO2/c15-9-6-3-7-10(11(9)16)20(13(22)14(17,18)19)12(21)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKey DQNJPVWJAPMLDH-UHFFFAOYSA-N
Molecular Weight 354.156 g/mol
SMILES C1(Cl)=C(C=CC=C1N(C(=O)C1CCCC1)C(C(F)(F)F)=O)Cl