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2-[2-(1,3-Dioxan-2-yl)ethyl]-2-[1-(phenylsulfonyl)-1H-pyrrole-3-yl]-1,3-dioxane
SpectraBase Compound ID DlGxIkW1d1Y
InChI InChI=1S/C20H25NO6S/c22-28(23,18-6-2-1-3-7-18)21-11-9-17(16-21)20(26-14-5-15-27-20)10-8-19-24-12-4-13-25-19/h1-3,6-7,9,11,16,19H,4-5,8,10,12-15H2
InChIKey LZZSADXGXRJBSW-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C20H25NO6S
Exact Mass 407.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCorTSKOmH8
Name 2-[2-(1,3-Dioxan-2-yl)ethyl]-2-[1-(phenylsulfonyl)-1H-pyrrole-3-yl]-1,3-dioxane
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Formula C20H25NO6S
InChI InChI=1S/C20H25NO6S/c22-28(23,18-6-2-1-3-7-18)21-11-9-17(16-21)20(26-14-5-15-27-20)10-8-19-24-12-4-13-25-19/h1-3,6-7,9,11,16,19H,4-5,8,10,12-15H2
InChIKey LZZSADXGXRJBSW-UHFFFAOYSA-N
Molecular Weight 407.481 g/mol
SMILES C1(OCCCO1)(c1c[n](cc1)S(=O)(=O)c1ccccc1)CCC1OCCCO1
SPLASH splash10-0006-3090000000-135b8ef9bb6a106aad9e
Source of Spectrum E1-43-42-0
Synonyms 3-{2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl}-1-(phenylsulfonyl)-1H-pyrrole
Wiley ID 1552879