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(E)-1-Dodecyl-3-(2-dodecyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
SpectraBase Compound ID AafQuXXWZdR
InChI InChI=1S/C42H61F3N2O/c1-3-5-7-9-11-13-15-17-19-23-33-47-35-37(30-27-36-28-31-38(32-29-36)42(43,44)45)41(46-47)39-25-21-22-26-40(39)48-34-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-32,35H,3-20,23-24,33-34H2,1-2H3/b30-27+
InChIKey BAHVMVYNJVWOIV-KDJFERLWSA-N
Mol Weight 667.0 g/mol
Molecular Formula C42H61F3N2O
Exact Mass 666.473599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3Lhi1S7XvQ
Name (E)-1-Dodecyl-3-(2-dodecyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
Appearance Oil
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Formula C42H61F3N2O
InChI InChI=1S/C42H61F3N2O/c1-3-5-7-9-11-13-15-17-19-23-33-47-35-37(30-27-36-28-31-38(32-29-36)42(43,44)45)41(46-47)39-25-21-22-26-40(39)48-34-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-32,35H,3-20,23-24,33-34H2,1-2H3/b30-27+
InChIKey BAHVMVYNJVWOIV-KDJFERLWSA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 666.958 g/mol
Reported Formula C42H62N2O(19)F3
SMILES C(CCCCCCCCCCC)[n]1nc(c(c1)\C=C\c1ccc(cc1)C(F)(F)F)-c1c(cccc1)OCCCCCCCCCCCC
SPLASH splash10-014i-0404329000-527d1f4eb8539a5c5996
Source of Spectrum ARK-2010-244-8f
Wiley ID 1866745