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(E)-4-(4-Chlorostyryl)-1-dodecyl-3-(2-hydroxyphenyl)-1H-pyrazole
SpectraBase Compound ID 96NDCyPEsKF
InChI InChI=1S/C29H37ClN2O/c1-2-3-4-5-6-7-8-9-10-13-22-32-23-25(19-16-24-17-20-26(30)21-18-24)29(31-32)27-14-11-12-15-28(27)33/h11-12,14-21,23,33H,2-10,13,22H2,1H3/b19-16+
InChIKey YGXIDAFVJZQKQJ-KNTRCKAVSA-N
Mol Weight 465.1 g/mol
Molecular Formula C29H37ClN2O
Exact Mass 464.259442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7enc0zfelGn
Name (E)-4-(4-Chlorostyryl)-1-dodecyl-3-(2-hydroxyphenyl)-1H-pyrazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37ClN2O
InChI InChI=1S/C29H37ClN2O/c1-2-3-4-5-6-7-8-9-10-13-22-32-23-25(19-16-24-17-20-26(30)21-18-24)29(31-32)27-14-11-12-15-28(27)33/h11-12,14-21,23,33H,2-10,13,22H2,1H3/b19-16+
InChIKey YGXIDAFVJZQKQJ-KNTRCKAVSA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 465.081 g/mol
SMILES Oc1c(-c2n[n](CCCCCCCCCCCC)cc2\C=C\c2ccc(cc2)Cl)cccc1
SPLASH splash10-03di-0223900000-8fe2abfbf214dd8d035c
Source of Spectrum ARK-2010-238-4d
Wiley ID 1866733