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(E)-3-(2-Dodecyloxyphenyl)-4-styryl-1H-pyrazole
SpectraBase Compound ID DoDkrhcVeFx
InChI InChI=1S/C29H38N2O/c1-2-3-4-5-6-7-8-9-10-16-23-32-28-20-15-14-19-27(28)29-26(24-30-31-29)22-21-25-17-12-11-13-18-25/h11-15,17-22,24H,2-10,16,23H2,1H3,(H,30,31)/b22-21+
InChIKey XZRPWDOBDSNWKS-QURGRASLSA-N
Mol Weight 430.6 g/mol
Molecular Formula C29H38N2O
Exact Mass 430.298414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hS4i2XywJ2
Name (E)-3-(2-Dodecyloxyphenyl)-4-styryl-1H-pyrazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O
InChI InChI=1S/C29H38N2O/c1-2-3-4-5-6-7-8-9-10-16-23-32-28-20-15-14-19-27(28)29-26(24-30-31-29)22-21-25-17-12-11-13-18-25/h11-15,17-22,24H,2-10,16,23H2,1H3,(H,30,31)/b22-21+
InChIKey XZRPWDOBDSNWKS-QURGRASLSA-N
Instrument Name VG Autospec Q
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a19
Molecular Weight 430.636 g/mol
Reported Formula C29H38N2O
SMILES [nH]1cc(c(n1)-c1c(OCCCCCCCCCCCC)cccc1)\C=C\c1ccccc1
SPLASH splash10-0089-4940700000-f41abb60485860f9142b
Source of Spectrum ARK-2010-241-6b
Wiley ID 1866740