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5-[(1Z)-1-(4-Cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Fluoride
SpectraBase Compound ID GrvdEVqGgze
InChI InChI=1S/C25H25FN4O3/c1-16-13-20(14-22(24(16)31-3)25(26)30-32-4)21(19-11-9-18(15-27)10-12-19)7-5-6-8-23-29-28-17(2)33-23/h7,9-14H,5-6,8H2,1-4H3/b21-7-,30-25?
InChIKey JNTVLAGSLNLMLJ-UNTRIXLESA-N
Mol Weight 448.5 g/mol
Molecular Formula C25H25FN4O3
Exact Mass 448.191069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lbc3jmbAXdO
Name 5-[(1Z)-1-(4-Cyanophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Fluoride
Appearance Clear oil
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Formula C25H25FN4O3
InChI InChI=1S/C25H25FN4O3/c1-16-13-20(14-22(24(16)31-3)25(26)30-32-4)21(19-11-9-18(15-27)10-12-19)7-5-6-8-23-29-28-17(2)33-23/h7,9-14H,5-6,8H2,1-4H3/b21-7-,30-25?
InChIKey JNTVLAGSLNLMLJ-UNTRIXLESA-N
Ionization Type EI
Molecular Weight 448.498 g/mol
Reported Formula C25H25FN4O3
SMILES c1c(c(c(cc1\C(=C/CCCc1nnc(o1)C)c1ccc(cc1)C#N)C)OC)C(F)=NOC
SPLASH splash10-0002-5029000000-da0499b97eb4c57b1b83
Source of Spectrum US20170267667A1
Wiley ID 1866068