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(4R,5R)-2,4-Bis-(1H-1,2,3-benzotriazol-1-yl)-5-phenylcyclohexane-1,3-dione
SpectraBase Compound ID 6ZOR0rrW8JZ
InChI InChI=1S/C24H18N6O2/c31-21-14-16(15-8-2-1-3-9-15)22(29-19-12-6-4-10-17(19)25-27-29)24(32)23(21)30-20-13-7-5-11-18(20)26-28-30/h1-13,16,22-23H,14H2/t16-,22-,23?/m1/s1
InChIKey XQIQITDPVYCXBN-SOJKGPRNSA-N
Mol Weight 422.45 g/mol
Molecular Formula C24H18N6O2
Exact Mass 422.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXWitp3UHO5
Name (4R,5R)-2,4-Bis-(1H-1,2,3-benzotriazol-1-yl)-5-phenylcyclohexane-1,3-dione
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N6O2
InChI InChI=1S/C24H18N6O2/c31-21-14-16(15-8-2-1-3-9-15)22(29-19-12-6-4-10-17(19)25-27-29)24(32)23(21)30-20-13-7-5-11-18(20)26-28-30/h1-13,16,22-23H,14H2/t16-,22-,23?/m1/s1
InChIKey XQIQITDPVYCXBN-SOJKGPRNSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b26
Molecular Weight 422.448 g/mol
SMILES C1C(=O)C([n]2nnc3c2cccc3)C(=O)[C@@]([C@]1(c1ccccc1)[H])([n]1c2c(nn1)cccc2)[H]
SPLASH splash10-00di-2190000000-03fdcc0032b52940845b
Source of Spectrum ARK-2010-339-6
Wiley ID 1869970