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1-(3,5-dimethylbenzyl)-2-[(1S)-1,3,3-trimethylbutyl]sulfonyl-benzimidazole
SpectraBase Compound ID Gwiyutz7D2N
InChI InChI=1S/C23H30N2O2S/c1-16-11-17(2)13-19(12-16)15-25-21-10-8-7-9-20(21)24-22(25)28(26,27)18(3)14-23(4,5)6/h7-13,18H,14-15H2,1-6H3/t18-/m0/s1
InChIKey VSZZLEFUGDMPLG-SFHVURJKSA-N
Mol Weight 398.57 g/mol
Molecular Formula C23H30N2O2S
Exact Mass 398.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJon2AOLsea
Name 1-(3,5-dimethylbenzyl)-2-[(1S)-1,3,3-trimethylbutyl]sulfonyl-benzimidazole
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Formula C23H30N2O2S
InChI InChI=1S/C23H30N2O2S/c1-16-11-17(2)13-19(12-16)15-25-21-10-8-7-9-20(21)24-22(25)28(26,27)18(3)14-23(4,5)6/h7-13,18H,14-15H2,1-6H3/t18-/m0/s1
InChIKey VSZZLEFUGDMPLG-SFHVURJKSA-N
Molecular Weight 398.565 g/mol
SMILES c1(nc2c([n]1Cc1cc(cc(c1)C)C)cccc2)S(=O)(=O)[C@](CC(C)(C)C)(C)[H]
SPLASH splash10-000i-0391000000-171971eab72954311340
Source of Spectrum KD-14-3053-7
Synonyms 1-[(3,5-dimethylphenyl)methyl]-2-[(1S)-1,3,3-trimethylbutyl]sulfonyl-benzimidazole 2-[(2S)-4,4-dimethylpentan-2-yl]sulfonyl-1-[(3,5-dimethylphenyl)methyl]benzimidazole
Wiley ID 1636374