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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rDGRWAJn6
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
Alternate Name(s) Ethyl 2-(hydroxyimino)-3-((1S,12bS)-1-(2,2,2-trifluoroethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/ardp.19903230604
Molecular Weight 437.463 g/mol
SMILES ON=C(C[C@]1([C@]2(c3c(c4ccccc4[nH]3)CCN2CCC1)[H])CC(F)(F)F)C(OCC)=O
SPLASH splash10-059l-4904700000-926640c7518634a306cc
Source of Spectrum APC-323-332-9
Wiley ID 1798974