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1-(2-Chlorobenzyl)-4-piperidinamine, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

1-(2-Chlorobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID 12oZBD42NCj
InChI InChI=1S/C16H16ClF7N2O/c17-12-4-2-1-3-10(12)9-26-7-5-11(6-8-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-4,11H,5-9H2,(H,25,27)
InChIKey GDKMBNOMWDAPEZ-UHFFFAOYSA-N
Mol Weight 420.76 g/mol
Molecular Formula C16H16ClF7N2O
Exact Mass 420.083938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQZcqBxRGbC
Name 1-(2-Chlorobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 420.083937983 u
Formula C16H16ClF7N2O
InChI InChI=1S/C16H16ClF7N2O/c17-12-4-2-1-3-10(12)9-26-7-5-11(6-8-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-4,11H,5-9H2,(H,25,27)
InChIKey GDKMBNOMWDAPEZ-UHFFFAOYSA-N
Molecular Weight 420.759 g/mol
SMILES C1(Cl)=C(C=CC=C1)CN1CCC(CC1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F