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(R*,S*)-1,4-Diphenyl-2,3-bis(3,4,5-trimethyl-1H-pyrazol-1-yl)-1,4-butanedione
SpectraBase Compound ID IA9ozmiGqzN
InChI InChI=1S/C28H30N4O2/c1-17-19(3)29-31(21(17)5)25(27(33)23-13-9-7-10-14-23)26(28(34)24-15-11-8-12-16-24)32-22(6)18(2)20(4)30-32/h7-16,25-26H,1-6H3/t25-,26+
InChIKey VZJSZVDRZJSCKF-WMPKNSHKSA-N
Mol Weight 454.57 g/mol
Molecular Formula C28H30N4O2
Exact Mass 454.236876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67FD7suAmOj
Name (R*,S*)-1,4-Diphenyl-2,3-bis(3,4,5-trimethyl-1H-pyrazol-1-yl)-1,4-butanedione
CAS Registry Number 92670-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N4O2
InChI InChI=1S/C28H30N4O2/c1-17-19(3)29-31(21(17)5)25(27(33)23-13-9-7-10-14-23)26(28(34)24-15-11-8-12-16-24)32-22(6)18(2)20(4)30-32/h7-16,25-26H,1-6H3/t25-,26+
InChIKey VZJSZVDRZJSCKF-WMPKNSHKSA-N
Molecular Weight 454.574 g/mol
SMILES [C@@]([n]1nc(C)c(c1C)C)([C@@]([n]1nc(C)c(c1C)C)(C(=O)c1ccccc1)[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-0udm-0009700000-06e26de6b185d0c2505c
Source of Spectrum J-49-4655-0
Synonyms (2R,3S)-1,4-diphenyl-2,3-bis(3,4,5-trimethyl-1H-pyrazol-1-yl)-1,4-butanedione
Wiley ID 1388846