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5-{4-[5-(2-Hydroxyphenyl)-1-phenylpyrazolyl]}-3-(4-methoxyphenyl)-1-phenyl-2-pyrazoline
SpectraBase Compound ID 9gmb59I7WPO
InChI InChI=1S/C31H26N4O2/c1-37-25-18-16-22(17-19-25)28-20-29(34(33-28)23-10-4-2-5-11-23)27-21-32-35(24-12-6-3-7-13-24)31(27)26-14-8-9-15-30(26)36/h2-19,21,29,36H,20H2,1H3
InChIKey RJWUKQBJROIFCG-UHFFFAOYSA-N
Mol Weight 486.58 g/mol
Molecular Formula C31H26N4O2
Exact Mass 486.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JtcCzXqaOQ
Name 5-{4-[5-(2-Hydroxyphenyl)-1-phenylpyrazolyl]}-3-(4-methoxyphenyl)-1-phenyl-2-pyrazoline
Appearance White plates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N4O2
InChI InChI=1S/C31H26N4O2/c1-37-25-18-16-22(17-19-25)28-20-29(34(33-28)23-10-4-2-5-11-23)27-21-32-35(24-12-6-3-7-13-24)31(27)26-14-8-9-15-30(26)36/h2-19,21,29,36H,20H2,1H3
InChIKey RJWUKQBJROIFCG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.522
Molecular Weight 486.575 g/mol
SMILES Oc1ccccc1-c1[n](ncc1C1N(N=C(C1)c1ccc(cc1)OC)c1ccccc1)-c1ccccc1
SPLASH splash10-0006-9010000000-9d454fec26774f0d2c52
Sample Comments Mixture of diastereomers
Source of Spectrum ARK-2012-275-2c
Wiley ID 1864631