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(4R,5R)-2,4-Bis-(1H-1,2,3-benzotriazol-1-yl)-5-(4-methylphenyl)cyclohexane-1,3-dione
SpectraBase Compound ID JiM7pLHBlkx
InChI InChI=1S/C25H20N6O2/c1-15-10-12-16(13-11-15)17-14-22(32)24(31-21-9-5-3-7-19(21)27-29-31)25(33)23(17)30-20-8-4-2-6-18(20)26-28-30/h2-13,17,23-24H,14H2,1H3/t17-,23-,24?/m1/s1
InChIKey JYJCWAHEAVNYKP-KWTFHKEJSA-N
Mol Weight 436.48 g/mol
Molecular Formula C25H20N6O2
Exact Mass 436.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Axlnlxr2dZS
Name (4R,5R)-2,4-Bis-(1H-1,2,3-benzotriazol-1-yl)-5-(4-methylphenyl)cyclohexane-1,3-dione
Appearance Dark yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N6O2
InChI InChI=1S/C25H20N6O2/c1-15-10-12-16(13-11-15)17-14-22(32)24(31-21-9-5-3-7-19(21)27-29-31)25(33)23(17)30-20-8-4-2-6-18(20)26-28-30/h2-13,17,23-24H,14H2,1H3/t17-,23-,24?/m1/s1
InChIKey JYJCWAHEAVNYKP-KWTFHKEJSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b26
Molecular Weight 436.475 g/mol
SMILES C1C(=O)C([n]2nnc3c2cccc3)C(=O)[C@@]([C@]1(c1ccc(cc1)C)[H])([n]1c2c(nn1)cccc2)[H]
SPLASH splash10-00di-2190000000-b6597dd6d6880b4daf52
Source of Spectrum ARK-2010-339-7
Wiley ID 1869971