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Ethyl 3-[1alpha-(2,2,2-trifluoroethyl)-1,2,3,4,6,7,12,12balpha-octahydroindolo[2,3-a]quinolizin-1beta-yl]-2-hydroxyiminopropionate

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

Ethyl 3-[1alpha-(2,2,2-trifluoroethyl)-1,2,3,4,6,7,12,12balpha-octahydroindolo[2,3-a]quinolizin-1beta-yl]-2-hydroxyiminopropionate
SpectraBase Compound ID rRap9SB503
InChI InChI=1S/C22H26F3N3O3/c1-2-31-20(29)17(27-30)12-21(13-22(23,24)25)9-5-10-28-11-8-15-14-6-3-4-7-16(14)26-18(15)19(21)28/h3-4,6-7,19,26,30H,2,5,8-13H2,1H3/t19-,21+/m1/s1
InChIKey IXJVXIYIWNESQM-CTNGQTDRSA-N
Mol Weight 437.46 g/mol
Molecular Formula C22H26F3N3O3
Exact Mass 437.192626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAfjXi3uRt
Name Ethyl 3-[1alpha-(2,2,2-trifluoroethyl)-1,2,3,4,6,7,12,12BALPHA-octahydroindolo[2,3-A]quinolizin-1beta-yl]-2-hydroxyiminopropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.192626195 u
Formula C22H26F3N3O3
InChI InChI=1S/C22H26F3N3O3/c1-2-31-20(29)17(27-30)12-21(13-22(23,24)25)9-5-10-28-11-8-15-14-6-3-4-7-16(14)26-18(15)19(21)28/h3-4,6-7,19,26,30H,2,5,8-13H2,1H3/t19-,21+/m1/s1
InChIKey IXJVXIYIWNESQM-CTNGQTDRSA-N
Molecular Weight 437.463 g/mol
SMILES C12=C(CCN3CCC[C@]([C@@]13[H])(C\C(=N/O)C(OCC)=O)CC(F)(F)F)C=1C=CC=CC1N2