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1-[5-Acetyl-3-methyl-6-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone
SpectraBase Compound ID swr0J1bsFK
InChI InChI=1S/C21H21F3N2O2/c1-13-4-6-15(7-5-13)19-16(14(2)27)12-25(3)10-11-26-17(19)8-9-18(26)20(28)21(22,23)24/h4-9,12,19H,10-11H2,1-3H3/b16-12-
InChIKey SWQZGOXXITVAFE-VBKFSLOCSA-N
Mol Weight 390.41 g/mol
Molecular Formula C21H21F3N2O2
Exact Mass 390.155512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IItVyq3UuK
Name 1-[5-Acetyl-3-methyl-6-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone
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Formula C21H21F3N2O2
InChI InChI=1S/C21H21F3N2O2/c1-13-4-6-15(7-5-13)19-16(14(2)27)12-25(3)10-11-26-17(19)8-9-18(26)20(28)21(22,23)24/h4-9,12,19H,10-11H2,1-3H3/b16-12-
InChIKey SWQZGOXXITVAFE-VBKFSLOCSA-N
Molecular Weight 390.406 g/mol
SMILES c12[n](CCN(\C=C/(C2c2ccc(cc2)C)C(=O)C)C)c(cc1)C(C(F)(F)F)=O
SPLASH splash10-0006-9006000000-ef74b9cb55b70ba4e4dd
Source of Spectrum F-66-5145-34
Synonyms 1-[(4E)-5-acetyl-3-methyl-6-(4-methylphenyl)-2,6-dihydro-1H-pyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone 1-[(4E)-5-ethanoyl-3-methyl-6-(4-methylphenyl)-2,6-dihydro-1H-pyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-tris(fluoranyl)ethanone
Wiley ID 1683394