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(E)-4-(4-Chlorostyryl)-3-(2-decyloxyphenyl)-1H-pyrazole
SpectraBase Compound ID HJ7SHnAAsEJ
InChI InChI=1S/C27H33ClN2O/c1-2-3-4-5-6-7-8-11-20-31-26-13-10-9-12-25(26)27-23(21-29-30-27)17-14-22-15-18-24(28)19-16-22/h9-10,12-19,21H,2-8,11,20H2,1H3,(H,29,30)/b17-14+
InChIKey JOYXYEQWZXUAGY-SAPNQHFASA-N
Mol Weight 437.0 g/mol
Molecular Formula C27H33ClN2O
Exact Mass 436.228141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hp2VEdeeRL
Name (E)-4-(4-Chlorostyryl)-3-(2-decyloxyphenyl)-1H-pyrazole
Appearance Oil
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Formula C27H33ClN2O
InChI InChI=1S/C27H33ClN2O/c1-2-3-4-5-6-7-8-11-20-31-26-13-10-9-12-25(26)27-23(21-29-30-27)17-14-22-15-18-24(28)19-16-22/h9-10,12-19,21H,2-8,11,20H2,1H3,(H,29,30)/b17-14+
InChIKey JOYXYEQWZXUAGY-SAPNQHFASA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 437.027 g/mol
Reported Formula C27H33N2O(35)Cl
SMILES [nH]1cc(c(n1)-c1c(OCCCCCCCCCC)cccc1)\C=C\c1ccc(cc1)Cl
SPLASH splash10-000i-1520900000-68bff41f8f64de64127c
Source of Spectrum ARK-2010-241-6c
Wiley ID 1866741