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1-[Toluenesulfonyl]-2,5-bis(2'-furyl)-3-acetyl-2,5-dihydropyrrole
SpectraBase Compound ID JaJMCms1GEi
InChI InChI=1S/C21H19NO5S/c1-14-7-9-16(10-8-14)28(24,25)22-18(19-5-3-11-26-19)13-17(15(2)23)21(22)20-6-4-12-27-20/h3-13,18,21H,1-2H3
InChIKey SPDMPZCWWPVUAU-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C21H19NO5S
Exact Mass 397.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JjLzg9RC3A
Name 1-[Toluenesulfonyl]-2,5-bis(2'-furyl)-3-acetyl-2,5-dihydropyrrole
Alternate Name(s) 3-Acetyl-2,5-di(2-furyl)-1-N-tosyl-1H-pyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NO5S
InChI InChI=1S/C21H19NO5S/c1-14-7-9-16(10-8-14)28(24,25)22-18(19-5-3-11-26-19)13-17(15(2)23)21(22)20-6-4-12-27-20/h3-13,18,21H,1-2H3
InChIKey SPDMPZCWWPVUAU-UHFFFAOYSA-N
Molecular Weight 397.445 g/mol
SMILES c1(S(N2C(C(C(=O)C)=CC2c2occc2)c2occc2)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-0092000000-24e070849e5f819e1ca8
Source of Spectrum K1-2002-700-2
Wiley ID 1522134