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2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(4-carbmethoxyphenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID KC4TeX7wpao
InChI InChI=1S/C27H29N3O5/c1-27(2)13-19(31)22(20(32)14-27)21(15-5-7-17(8-6-15)25(33)35-4)24-23(29-26(28)30-24)16-9-11-18(34-3)12-10-16/h5-12,21,31H,13-14H2,1-4H3,(H3,28,29,30)
InChIKey GETYJDGBZKJPPA-UHFFFAOYSA-N
Mol Weight 475.55 g/mol
Molecular Formula C27H29N3O5
Exact Mass 475.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEwSNvlIbQm
Name 2-((2-Amino-5-(4-methoxyphenyl)-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 C27H29N3O5
InChI InChI=1S/C27H29N3O5/c1-27(2)13-19(31)22(20(32)14-27)21(15-5-7-17(8-6-15)25(33)35-4)24-23(29-26(28)30-24)16-9-11-18(34-3)12-10-16/h5-12,21,31H,13-14H2,1-4H3,(H3,28,29,30)
InChIKey GETYJDGBZKJPPA-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 475.545 g/mol
SMILES OC1=C(C(c2nc([nH]c2-c2ccc(OC)cc2)N)c2ccc(C(OC)=O)cc2)C(CC(C1)(C)C)=O
SPLASH splash10-000i-0809200000-5ef66a0fba95fa766b41
Source of Spectrum ARK-2013-73-10m
Wiley ID 1853462