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5-[(1Z)-1-(3-Cyanophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Fluoride
SpectraBase Compound ID KIo3JE034pE
InChI InChI=1S/C25H26FN3O4/c1-17-13-20(15-22(24(17)31-2)25(26)28-32-3)21(19-8-6-7-18(14-19)16-27)9-4-5-11-29-12-10-23(30)33-29/h6-9,13-15H,4-5,10-12H2,1-3H3/b21-9-,28-25?
InChIKey NVXFRSFIGGWJPC-RUBODUKDSA-N
Mol Weight 451.5 g/mol
Molecular Formula C25H26FN3O4
Exact Mass 451.190734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvZEWpt7VtH
Name 5-[(1Z)-1-(3-Cyanophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Fluoride
Appearance Clear oil
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Formula C25H26FN3O4
InChI InChI=1S/C25H26FN3O4/c1-17-13-20(15-22(24(17)31-2)25(26)28-32-3)21(19-8-6-7-18(14-19)16-27)9-4-5-11-29-12-10-23(30)33-29/h6-9,13-15H,4-5,10-12H2,1-3H3/b21-9-,28-25?
InChIKey NVXFRSFIGGWJPC-RUBODUKDSA-N
Ionization Type EI
Molecular Weight 451.498 g/mol
Reported Formula C25H26FN3O4
SMILES c1c(c(c(cc1\C(=C/CCCN1CCC(O1)=O)c1cccc(c1)C#N)C)OC)C(F)=NOC
SPLASH splash10-0w29-2728900000-49235a25dd9679b3ee39
Source of Spectrum US20170267667A1
Wiley ID 1866067