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(E)-3-(2-Dodecyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
SpectraBase Compound ID AHxrjW4KOfO
InChI InChI=1S/C30H37F3N2O/c1-2-3-4-5-6-7-8-9-10-13-22-36-28-15-12-11-14-27(28)29-25(23-34-35-29)19-16-24-17-20-26(21-18-24)30(31,32)33/h11-12,14-21,23H,2-10,13,22H2,1H3,(H,34,35)/b19-16+
InChIKey GKFPJPQMIYLYCO-KNTRCKAVSA-N
Mol Weight 498.6 g/mol
Molecular Formula C30H37F3N2O
Exact Mass 498.285798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1d3iy8nmji8
Name (E)-3-(2-Dodecyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
Appearance Yellow oil
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Formula C30H37F3N2O
InChI InChI=1S/C30H37F3N2O/c1-2-3-4-5-6-7-8-9-10-13-22-36-28-15-12-11-14-27(28)29-25(23-34-35-29)19-16-24-17-20-26(21-18-24)30(31,32)33/h11-12,14-21,23H,2-10,13,22H2,1H3,(H,34,35)/b19-16+
InChIKey GKFPJPQMIYLYCO-KNTRCKAVSA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 498.634 g/mol
Reported Formula C30H37N2O(19)F3
SMILES [nH]1cc(c(n1)-c1c(OCCCCCCCCCCCC)cccc1)\C=C\c1ccc(cc1)C(F)(F)F
SPLASH splash10-00ea-1908400000-4ed4e86b4b701a97d669
Source of Spectrum ARK-2010-243-6f
Wiley ID 1866742