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(E)-1-Dodecyl-3-(2-hydroxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
SpectraBase Compound ID BuIJNIxh21Q
InChI InChI=1S/C30H37F3N2O/c1-2-3-4-5-6-7-8-9-10-13-22-35-23-25(29(34-35)27-14-11-12-15-28(27)36)19-16-24-17-20-26(21-18-24)30(31,32)33/h11-12,14-21,23,36H,2-10,13,22H2,1H3/b19-16+
InChIKey PRMRAWSSPGFTIE-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 LSAQUL7Cj67
Name (E)-1-Dodecyl-3-(2-hydroxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole
Appearance White solid
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Formula C30H37F3N2O
InChI InChI=1S/C30H37F3N2O/c1-2-3-4-5-6-7-8-9-10-13-22-35-23-25(29(34-35)27-14-11-12-15-28(27)36)19-16-24-17-20-26(21-18-24)30(31,32)33/h11-12,14-21,23,36H,2-10,13,22H2,1H3/b19-16+
InChIKey PRMRAWSSPGFTIE-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 Oc1c(-c2n[n](CCCCCCCCCCCC)cc2\C=C\c2ccc(cc2)C(F)(F)F)cccc1
SPLASH splash10-0002-0206900000-a73ae7ff41cdfe5d11c4
Source of Spectrum ARK-2010-239-4f
Wiley ID 1866735