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4,7,9-Trimethyl-2-(2,2,2-trifluorO-acetyl)-4,7,8,9-tetrahydro-1H-1,7-diaza-cyclopentacyclooctene-5,6-dicarboxylic acid dimethyl ester

View entire compound with spectra: 3 MS (GC)

4,7,9-Trimethyl-2-(2,2,2-trifluorO-acetyl)-4,7,8,9-tetrahydro-1H-1,7-diaza-cyclopentacyclooctene-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID ljO3mg3ksn
InChI InChI=1S/C18H21F3N2O5/c1-8-7-23(3)14(17(26)28-5)12(16(25)27-4)9(2)10-6-11(22-13(8)10)15(24)18(19,20)21/h6,8-9,22H,7H2,1-5H3/b14-12+
InChIKey ZGYKGFOVAMTXFI-WYMLVPIESA-N
Mol Weight 402.37 g/mol
Molecular Formula C18H21F3N2O5
Exact Mass 402.140256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rp3jzjI4vh
Name 4,7,9-Trimethyl-2-(2,2,2-trifluorO-acetyl)-4,7,8,9-tetrahydro-1H-1,7-diaza-cyclopentacyclooctene-5,6-dicarboxylic acid dimethyl ester
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Formula C18H21F3N2O5
InChI InChI=1S/C18H21F3N2O5/c1-8-7-23(3)14(17(26)28-5)12(16(25)27-4)9(2)10-6-11(22-13(8)10)15(24)18(19,20)21/h6,8-9,22H,7H2,1-5H3/b14-12+
InChIKey ZGYKGFOVAMTXFI-WYMLVPIESA-N
Molecular Weight 402.370 g/mol
SMILES [nH]1c(cc2C(\C(=C\(N(CC(c12)C)C)C(OC)=O)C(OC)=O)C)C(C(F)(F)F)=O
SPLASH splash10-0udi-6961000000-97e9a3c0fc2620da5cae
Synonyms Dimethyl 4,7,9-trimethyl-2-(trifluoroacetyl)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-d]azocine-5,6-dicarboxylate
Wiley ID 1463719