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(E)-1-Decyl-3-(2-decyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
SpectraBase Compound ID IS4yl9Ob3MG
InChI InChI=1S/C38H53F3N2O/c1-3-5-7-9-11-13-15-19-29-43-31-33(26-23-32-24-27-34(28-25-32)38(39,40)41)37(42-43)35-21-17-18-22-36(35)44-30-20-16-14-12-10-8-6-4-2/h17-18,21-28,31H,3-16,19-20,29-30H2,1-2H3/b26-23+
InChIKey LYLGSTJMECTFCI-WNAAXNPUSA-N
Mol Weight 610.9 g/mol
Molecular Formula C38H53F3N2O
Exact Mass 610.410999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0kwmJCRYvY
Name (E)-1-Decyl-3-(2-decyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
Appearance Oil
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Formula C38H53F3N2O
InChI InChI=1S/C38H53F3N2O/c1-3-5-7-9-11-13-15-19-29-43-31-33(26-23-32-24-27-34(28-25-32)38(39,40)41)37(42-43)35-21-17-18-22-36(35)44-30-20-16-14-12-10-8-6-4-2/h17-18,21-28,31H,3-16,19-20,29-30H2,1-2H3/b26-23+
InChIKey LYLGSTJMECTFCI-WNAAXNPUSA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 610.850 g/mol
Reported Formula C38H53N2O(19)F3
SMILES C(CCCCCCCCC)[n]1nc(c(c1)\C=C\c1ccc(cc1)C(F)(F)F)-c1c(cccc1)OCCCCCCCCCC
SPLASH splash10-0089-0205911000-56f2178a720de60fed19
Source of Spectrum ARK-2010-243-8e
Wiley ID 1866744