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2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(phenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID 9ap1prtLbRj
InChI InChI=1S/C25H27N3O3/c1-25(2)13-18(29)21(19(30)14-25)20(15-7-5-4-6-8-15)23-22(27-24(26)28-23)16-9-11-17(31-3)12-10-16/h4-12,20,29H,13-14H2,1-3H3,(H3,26,27,28)
InChIKey YYBXIDRQVWDVNU-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BANjio388yf
Name 2-((2-Amino-5-(4-methoxyphenyl)-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 C25H27N3O3
InChI InChI=1S/C25H27N3O3/c1-25(2)13-18(29)21(19(30)14-25)20(15-7-5-4-6-8-15)23-22(27-24(26)28-23)16-9-11-17(31-3)12-10-16/h4-12,20,29H,13-14H2,1-3H3,(H3,26,27,28)
InChIKey YYBXIDRQVWDVNU-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 417.509 g/mol
SMILES OC1=C(C(c2nc([nH]c2-c2ccc(OC)cc2)N)c2ccccc2)C(CC(C1)(C)C)=O
SPLASH splash10-000i-0879100000-52fe412ab2095e185f34
Source of Spectrum ARK-2013-73-10l
Wiley ID 1853461