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5-{4-[5-(2-Acetoxyphenyl)-1-phenylpyrazolyl]}-1,3-diphenyl-2-pyrazoline
SpectraBase Compound ID 2rv9aUmVslT
InChI InChI=1S/C32H26N4O2/c1-23(37)38-31-20-12-11-19-27(31)32-28(22-33-36(32)26-17-9-4-10-18-26)30-21-29(24-13-5-2-6-14-24)34-35(30)25-15-7-3-8-16-25/h2-20,22,30H,21H2,1H3
InChIKey PGDGTHQZIGMKMO-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C32H26N4O2
Exact Mass 498.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 658NQ5xaGFo
Name 5-{4-[5-(2-Acetoxyphenyl)-1-phenylpyrazolyl]}-1,3-diphenyl-2-pyrazoline
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26N4O2
InChI InChI=1S/C32H26N4O2/c1-23(37)38-31-20-12-11-19-27(31)32-28(22-33-36(32)26-17-9-4-10-18-26)30-21-29(24-13-5-2-6-14-24)34-35(30)25-15-7-3-8-16-25/h2-20,22,30H,21H2,1H3
InChIKey PGDGTHQZIGMKMO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.522
Molecular Weight 498.586 g/mol
SMILES c1c(c(ccc1)-c1[n](ncc1C1N(N=C(C1)c1ccccc1)c1ccccc1)-c1ccccc1)OC(C)=O
SPLASH splash10-0006-9010100000-51ca53d68a3a240c06d0
Sample Comments Minor diastereomer
Source of Spectrum ARK-2012-278-3a
Wiley ID 1864636