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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[4-nitro-3-(trifluoromethyl)anilino]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

View entire compound with spectra: 1 MS (GC)

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[4-nitro-3-(trifluoromethyl)anilino]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SpectraBase Compound ID C11ElA8tIN8
InChI InChI=1S/C26H34F3N3O3/c1-24-12-10-18-16(5-9-22-25(18,2)13-11-23(33)31(22)3)17(24)6-8-21(24)30-15-4-7-20(32(34)35)19(14-15)26(27,28)29/h4,7,14,16-18,21-22,30H,5-6,8-13H2,1-3H3/t16-,17-,18-,21-,22+,24-,25+/m0/s1
InChIKey GDXIEHNAPRBDFJ-XUKKSVFASA-N
Mol Weight 493.6 g/mol
Molecular Formula C26H34F3N3O3
Exact Mass 493.255226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CQh0prQx2F
Name (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[4-nitro-3-(trifluoromethyl)anilino]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34F3N3O3
InChI InChI=1S/C26H34F3N3O3/c1-24-12-10-18-16(5-9-22-25(18,2)13-11-23(33)31(22)3)17(24)6-8-21(24)30-15-4-7-20(32(34)35)19(14-15)26(27,28)29/h4,7,14,16-18,21-22,30H,5-6,8-13H2,1-3H3/t16-,17-,18-,21-,22+,24-,25+/m0/s1
InChIKey GDXIEHNAPRBDFJ-XUKKSVFASA-N
Molecular Weight 493.571 g/mol
SMILES N([C@@]1([C@]2(CC[C@@]3([C@@]4([C@](N(C)C(CC4)=O)(CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H])C)[H])c1cc(C(F)(F)F)c(N(=O)=O)cc1
SPLASH splash10-01vp-1460900000-693bb4b665752d627503
Source of Spectrum E1-38-1167-27
Synonyms (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
Wiley ID 1598288