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(1R,3aS,4R,7aR)-4-Ethoxy-1-(4-nitro-phenyl)-3-phenyl-7-trifluoromethyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diaza-indene
SpectraBase Compound ID 5ZgwG8LnpIk
InChI InChI=1S/C21H18F3N3O4/c1-2-30-20-16-15(19(26-31-20)21(22,23)24)17(13-8-10-14(11-9-13)27(28)29)25-18(16)12-6-4-3-5-7-12/h3-11,15-17,20H,2H2,1H3/t15-,16+,17+,20-/m1/s1
InChIKey LZASMGLKYXDEBB-NHAYFPRASA-N
Mol Weight 433.39 g/mol
Molecular Formula C21H18F3N3O4
Exact Mass 433.124941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfagwvuinOB
Name (1R,3aS,4R,7aR)-4-Ethoxy-1-(4-nitro-phenyl)-3-phenyl-7-trifluoromethyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diaza-indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N3O4
InChI InChI=1S/C21H18F3N3O4/c1-2-30-20-16-15(19(26-31-20)21(22,23)24)17(13-8-10-14(11-9-13)27(28)29)25-18(16)12-6-4-3-5-7-12/h3-11,15-17,20H,2H2,1H3/t15-,16+,17+,20-/m1/s1
InChIKey LZASMGLKYXDEBB-NHAYFPRASA-N
Molecular Weight 433.387 g/mol
SMILES [C@@]12([C@@](C(C(F)(F)F)=NO[C@]2(OCC)[H])([C@](c2ccc(N(=O)=O)cc2)(N=C1c1ccccc1)[H])[H])[H]
SPLASH splash10-000f-1779100000-0453a490a2d9535d7581
Source of Spectrum F4-0-2081-14
Synonyms (1R,4aR,5R,7aS)-1-ethoxy-5-(4-nitrophenyl)-7-phenyl-4-(trifluoromethyl)-1,4a,5,7a-tetrahydropyrrolo[3,4-d][1,2]oxazine (1R,4aR,5R,7aS)-5-(4-nitrophenyl)-7-phenyl-4-(trifluoromethyl)-1,4a,5,7a-tetrahydropyrrolo[3,4-d][1,2]oxazin-1-yl ethyl ether 1.beta.-exo-4-Ethoxy-7-trifluoromethyl-1-(4-nitrophenyl)-3-phenyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diazaindene
Wiley ID 1619961