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2-(2,3-Difluoro-4-nonyloxyphenyl)-5-cyanopyrimidine

View entire compound with spectra: 2 NMR

2-(2,3-Difluoro-4-nonyloxyphenyl)-5-cyanopyrimidine
SpectraBase Compound ID JkW5PQSTQ8K
InChI InChI=1S/C20H23F2N3O/c1-2-3-4-5-6-7-8-11-26-17-10-9-16(18(21)19(17)22)20-24-13-15(12-23)14-25-20/h9-10,13-14H,2-8,11H2,1H3
InChIKey XAQXIDONRNIUPH-UHFFFAOYSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H23F2N3O
Exact Mass 359.180919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYpc5IrWtIY
Name 2-(2,3-Difluoro-4-nonyloxyphenyl)-5-cyanopyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 359.180918698 u
Formula C20H23F2N3O
InChI InChI=1S/C20H23F2N3O/c1-2-3-4-5-6-7-8-11-26-17-10-9-16(18(21)19(17)22)20-24-13-15(12-23)14-25-20/h9-10,13-14H,2-8,11H2,1H3
InChIKey XAQXIDONRNIUPH-UHFFFAOYSA-N
Molecular Weight 359.421 g/mol
SMILES c1(c(c(F)c(cc1)OCCCCCCCCC)F)-c1ncc(C#N)cn1