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3-[1-(benzenesulfonyl)-6-(1,3-dioxan-2-yl)indol-4-yl]oxypropan-1-ol
SpectraBase Compound ID 3MZP2IobSoj
InChI InChI=1S/C21H23NO6S/c23-10-4-11-26-20-15-16(21-27-12-5-13-28-21)14-19-18(20)8-9-22(19)29(24,25)17-6-2-1-3-7-17/h1-3,6-9,14-15,21,23H,4-5,10-13H2
InChIKey PQNUFSKPUKXWRD-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C21H23NO6S
Exact Mass 417.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LELeiwagSNa
Name 3-[1-(benzenesulfonyl)-6-(1,3-dioxan-2-yl)indol-4-yl]oxypropan-1-ol
Alternate Name(s) 3-[1-besyl-6-(1,3-dioxan-2-yl)indol-4-yl]oxypropan-1-ol 3-[6-(1,3-dioxan-2-yl)-1-(phenylsulfonyl)indol-4-yl]oxypropan-1-ol 3-[[1-(benzenesulfonyl)-6-(1,3-dioxan-2-yl)-4-indolyl]oxy]-1-propanol
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Formula C21H23NO6S
InChI InChI=1S/C21H23NO6S/c23-10-4-11-26-20-15-16(21-27-12-5-13-28-21)14-19-18(20)8-9-22(19)29(24,25)17-6-2-1-3-7-17/h1-3,6-9,14-15,21,23H,4-5,10-13H2
InChIKey PQNUFSKPUKXWRD-UHFFFAOYSA-N
Molecular Weight 417.476 g/mol
SMILES OCCCOc1c2cc[n](c2cc(c1)C1OCCCO1)S(=O)(=O)c1ccccc1
SPLASH splash10-066r-8762900000-ab8f8a95642b2c5ddb87
Source of Spectrum E1-43-44-19
Wiley ID 1552859