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2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(4-carbmethoxyphenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID H8msdALQi4s
InChI InChI=1S/C27H29N3O4/c1-15-5-7-17(8-6-15)23-24(30-26(28)29-23)21(16-9-11-18(12-10-16)25(33)34-4)22-19(31)13-27(2,3)14-20(22)32/h5-12,21,31H,13-14H2,1-4H3,(H3,28,29,30)
InChIKey MVXOWHVWHZIWAO-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C27H29N3O4
Exact Mass 459.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LepS1FmbX6
Name 2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(4-carbmethoxyphenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O4
InChI InChI=1S/C27H29N3O4/c1-15-5-7-17(8-6-15)23-24(30-26(28)29-23)21(16-9-11-18(12-10-16)25(33)34-4)22-19(31)13-27(2,3)14-20(22)32/h5-12,21,31H,13-14H2,1-4H3,(H3,28,29,30)
InChIKey MVXOWHVWHZIWAO-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 459.546 g/mol
SMILES Nc1nc(C(C=2C(CC(CC2O)(C)C)=O)c2ccc(C(=O)OC)cc2)c([nH]1)-c1ccc(C)cc1
SPLASH splash10-00di-0920100000-ecc432aa8e3a18ceeeee
Source of Spectrum ARK-2013-72-10f
Wiley ID 1853455