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(E)-tert-Butyl 2-(5,5-difluoro-6-(2-(5-(4-fluoro-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-fluoro-phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
SpectraBase Compound ID Gfvdm16U4PU
InChI InChI=1S/C30H30F6N2O4/c1-27(2,3)42-24(39)17-23-29(32,33)22(40-28(4,5)41-23)16-15-21-25(18-11-13-19(31)14-12-18)38(20-9-7-6-8-10-20)37-26(21)30(34,35)36/h6-16,22-23H,17H2,1-5H3/b16-15+
InChIKey YDUXSBATBMJQTB-FOCLMDBBSA-N
Mol Weight 596.57 g/mol
Molecular Formula C30H30F6N2O4
Exact Mass 596.210976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MuEESKpBuu
Name (E)-tert-Butyl 2-(5,5-difluoro-6-(2-(5-(4-fluoro-phenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
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Formula C30H30F6N2O4
InChI InChI=1S/C30H30F6N2O4/c1-27(2,3)42-24(39)17-23-29(32,33)22(40-28(4,5)41-23)16-15-21-25(18-11-13-19(31)14-12-18)38(20-9-7-6-8-10-20)37-26(21)30(34,35)36/h6-16,22-23H,17H2,1-5H3/b16-15+
InChIKey YDUXSBATBMJQTB-FOCLMDBBSA-N
Literature Reference DOI 10.1002/cjoc.201201100
Molecular Weight 596.570 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)F)(F)F
SPLASH splash10-001i-2109100000-433765bcfb441203cb50
Source of Spectrum CJC-30-2771-3b
Synonyms (E)-tert-butyl 2-(5,5-difluoro-6-(2-(5-(4-fluorophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Wiley ID 1772685