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(trans)-2-Acetoxymethyl-6-octyl-3,6-dihydro-2H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester
SpectraBase Compound ID AC2ch1gB6cg
InChI InChI=1S/C19H30Cl3NO4/c1-3-4-5-6-7-8-10-16-11-9-12-17(13-26-15(2)24)23(16)18(25)27-14-19(20,21)22/h9,11,16-17H,3-8,10,12-14H2,1-2H3/t16-,17+/m0/s1
InChIKey STNKTOBTWGGFNX-DLBZAZTESA-N
Mol Weight 442.81 g/mol
Molecular Formula C19H30Cl3NO4
Exact Mass 441.124042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zHlXapfU0L
Name (trans)-2-Acetoxymethyl-6-octyl-3,6-dihydro-2H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester
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Formula C19H30Cl3NO4
InChI InChI=1S/C19H30Cl3NO4/c1-3-4-5-6-7-8-10-16-11-9-12-17(13-26-15(2)24)23(16)18(25)27-14-19(20,21)22/h9,11,16-17H,3-8,10,12-14H2,1-2H3/t16-,17+/m0/s1
InChIKey STNKTOBTWGGFNX-DLBZAZTESA-N
Molecular Weight 442.811 g/mol
SMILES C1[C@](COC(C)=O)(N(C(OCC(Cl)(Cl)Cl)=O)[C@@](CCCCCCCC)(C=C1)[H])[H]
SPLASH splash10-016r-2098000000-df4247159da933806646
Source of Spectrum ASC-349-157/SM12-19
Synonyms (2S,6R)-2,2,2-trichloroethyl 6-(acetoxymethyl)-2-octyl-5,6-dihydropyridine-1(2H)-carboxylate
Wiley ID 1765307