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1-(benzenesulfonyl)-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole
SpectraBase Compound ID Frj3FIQr4Bd
InChI InChI=1S/C17H18N2O6S/c20-19(21)15(13-17-24-10-5-11-25-17)12-14-6-4-9-18(14)26(22,23)16-7-2-1-3-8-16/h1-4,6-9,12,17H,5,10-11,13H2/b15-12+
InChIKey HSRFGUZSZHAVEK-NTCAYCPXSA-N
Mol Weight 378.4 g/mol
Molecular Formula C17H18N2O6S
Exact Mass 378.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvIcqZeU3hT
Name 1-(benzenesulfonyl)-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole
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Formula C17H18N2O6S
InChI InChI=1S/C17H18N2O6S/c20-19(21)15(13-17-24-10-5-11-25-17)12-14-6-4-9-18(14)26(22,23)16-7-2-1-3-8-16/h1-4,6-9,12,17H,5,10-11,13H2/b15-12+
InChIKey HSRFGUZSZHAVEK-NTCAYCPXSA-N
Molecular Weight 378.399 g/mol
SMILES c1([n](S(=O)(=O)c2ccccc2)ccc1)\C=C/(N(=O)=O)CC1OCCCO1
SPLASH splash10-0a99-9200000000-2bbb479fa9b18ee00304
Source of Spectrum E1-40-2349-24
Synonyms 1-besyl-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole 2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]-1-(phenylsulfonyl)pyrrole
Wiley ID 1519657