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1-[Toluenesulfonyl]-2,5-bis(p'-ethylphenyl)-3-acetyl-2,5-dihydropyrrole
SpectraBase Compound ID JIZTp6ZjE4D
InChI InChI=1S/C29H31NO3S/c1-5-22-9-13-24(14-10-22)28-19-27(21(4)31)29(25-15-11-23(6-2)12-16-25)30(28)34(32,33)26-17-7-20(3)8-18-26/h7-19,28-29H,5-6H2,1-4H3/t28-,29-/m0/s1
InChIKey VEOAGVPTUPADRW-VMPREFPWSA-N
Mol Weight 473.63 g/mol
Molecular Formula C29H31NO3S
Exact Mass 473.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNENpbg0Eyx
Name 1-[Toluenesulfonyl]-2,5-bis(p'-ethylphenyl)-3-acetyl-2,5-dihydropyrrole
Alternate Name(s) 1-[(2S,5S)-2,5-Bis-(4-ethyl-phenyl)-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrol-3-yl]-ethanone 1-{2,5-bis(4-ethylphenyl)-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrol-3-yl}ethanone 1-[(2S,5S)-2,5-bis(4-ethylphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]ethanone 1-[(2S,5S)-2,5-bis(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]ethanone
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Formula C29H31NO3S
InChI InChI=1S/C29H31NO3S/c1-5-22-9-13-24(14-10-22)28-19-27(21(4)31)29(25-15-11-23(6-2)12-16-25)30(28)34(32,33)26-17-7-20(3)8-18-26/h7-19,28-29H,5-6H2,1-4H3/t28-,29-/m0/s1
InChIKey VEOAGVPTUPADRW-VMPREFPWSA-N
Molecular Weight 473.631 g/mol
SMILES c1(S(N2[C@](C(C(=O)C)=C[C@]2(c2ccc(cc2)CC)[H])(c2ccc(cc2)CC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-016r-0089000000-29e105b3edb2e84b7267
Source of Spectrum U1-2002-699-2
Wiley ID 872530