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(E)-tert-Butyl 2-(5,5-difluoro-6-(2-(5-(4-methoxy-phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

View entire compound with spectra: 1 MS (GC)

(E)-tert-Butyl 2-(5,5-difluoro-6-(2-(5-(4-methoxy-phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
SpectraBase Compound ID LHSsfkFr0EB
InChI InChI=1S/C31H33F5N2O5/c1-28(2,3)43-25(39)18-24-30(32,33)23(41-29(4,5)42-24)17-16-22-26(19-12-14-21(40-6)15-13-19)38(20-10-8-7-9-11-20)37-27(22)31(34,35)36/h7-17,23-24H,18H2,1-6H3/b17-16+
InChIKey VJEGDMWJULOIDI-WUKNDPDISA-N
Mol Weight 608.6 g/mol
Molecular Formula C31H33F5N2O5
Exact Mass 608.230963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPJUtQGWG8w
Name (E)-tert-Butyl 2-(5,5-difluoro-6-(2-(5-(4-methoxy-phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
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Formula C31H33F5N2O5
InChI InChI=1S/C31H33F5N2O5/c1-28(2,3)43-25(39)18-24-30(32,33)23(41-29(4,5)42-24)17-16-22-26(19-12-14-21(40-6)15-13-19)38(20-10-8-7-9-11-20)37-27(22)31(34,35)36/h7-17,23-24H,18H2,1-6H3/b17-16+
InChIKey VJEGDMWJULOIDI-WUKNDPDISA-N
Literature Reference DOI 10.1002/cjoc.201201100
Molecular Weight 608.606 g/mol
SMILES C(F)(c1c(\C=C\C2C(F)(F)C(OC(C)(O2)C)CC(OC(C)(C)C)=O)c([n](n1)-c1ccccc1)-c1ccc(cc1)OC)(F)F
SPLASH splash10-0596-0009113000-798c93aa9eb0a84f6097
Source of Spectrum CJC-30-2772-3i
Synonyms (E)-tert-butyl 2-(5,5-difluoro-6-(2-(5-(4-methoxyphenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Wiley ID 1772687