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2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(4-methoxyphenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID 9KqTZi5IX2W
InChI InChI=1S/C26H29N3O4/c1-26(2)13-19(30)22(20(31)14-26)21(15-5-9-17(32-3)10-6-15)24-23(28-25(27)29-24)16-7-11-18(33-4)12-8-16/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey SNZNSDRWOZYAPT-UHFFFAOYSA-N
Mol Weight 447.54 g/mol
Molecular Formula C26H29N3O4
Exact Mass 447.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0LFD9luuc2
Name 2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(4-methoxyphenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29N3O4
InChI InChI=1S/C26H29N3O4/c1-26(2)13-19(30)22(20(31)14-26)21(15-5-9-17(32-3)10-6-15)24-23(28-25(27)29-24)16-7-11-18(33-4)12-8-16/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey SNZNSDRWOZYAPT-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 447.535 g/mol
SMILES OC1=C(C(c2nc([nH]c2-c2ccc(OC)cc2)N)c2ccc(OC)cc2)C(CC(C1)(C)C)=O
SPLASH splash10-01pc-0859100000-2fd4648f470a92ef23e9
Source of Spectrum ARK-2013-73-10i
Wiley ID 1853458