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(Trans)-2-acetoxymethyl-6-octyl-3,6-dihydro-2H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSYDc6we8FM
Name (Trans)-2-acetoxymethyl-6-octyl-3,6-dihydro-2H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.124041546 u
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]