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2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(phenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID EqjyefDKwHX
InChI InChI=1S/C25H27N3O2/c1-15-9-11-17(12-10-15)22-23(28-24(26)27-22)20(16-7-5-4-6-8-16)21-18(29)13-25(2,3)14-19(21)30/h4-12,20,29H,13-14H2,1-3H3,(H3,26,27,28)
InChIKey MSDJMDRSPJKFEJ-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C25H27N3O2
Exact Mass 401.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86UE3PN5l2y
Name 2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(phenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O2
InChI InChI=1S/C25H27N3O2/c1-15-9-11-17(12-10-15)22-23(28-24(26)27-22)20(16-7-5-4-6-8-16)21-18(29)13-25(2,3)14-19(21)30/h4-12,20,29H,13-14H2,1-3H3,(H3,26,27,28)
InChIKey MSDJMDRSPJKFEJ-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 401.510 g/mol
SMILES Nc1nc(C(C2=C(CC(CC2=O)(C)C)O)c2ccccc2)c([nH]1)-c1ccc(cc1)C
SPLASH splash10-0gc9-0494100000-fbaac98fd77fe1f14966
Source of Spectrum ARK-2013-72-10e
Wiley ID 1853454