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(E)-1-(benzenesulfonyl)-5-(1,3-dioxan-2-yl)-1-penten-3-one
SpectraBase Compound ID IbEASY8L1nl
InChI InChI=1S/C15H18O5S/c16-13(7-8-15-19-10-4-11-20-15)9-12-21(17,18)14-5-2-1-3-6-14/h1-3,5-6,9,12,15H,4,7-8,10-11H2/b12-9+
InChIKey AHAGSAKQFBRZBN-FMIVXFBMSA-N
Mol Weight 310.36 g/mol
Molecular Formula C15H18O5S
Exact Mass 310.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KauerIp3Jus
Name (E)-1-(benzenesulfonyl)-5-(1,3-dioxan-2-yl)-1-penten-3-one
CAS Registry Number 108643-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5S
InChI InChI=1S/C15H18O5S/c16-13(7-8-15-19-10-4-11-20-15)9-12-21(17,18)14-5-2-1-3-6-14/h1-3,5-6,9,12,15H,4,7-8,10-11H2/b12-9+
InChIKey AHAGSAKQFBRZBN-FMIVXFBMSA-N
Molecular Weight 310.364 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)(=O)CCC1OCCCO1
SPLASH splash10-004r-9100000000-65094999dd5c56ad48ad
Source of Spectrum B-41-894-28
Synonyms (E)-1-(benzenesulfonyl)-5-(1,3-dioxan-2-yl)pent-1-en-3-one (E)-1-besyl-5-(1,3-dioxan-2-yl)pent-1-en-3-one (E)-5-(1,3-dioxan-2-yl)-1-(phenylsulfonyl)pent-1-en-3-one
Wiley ID 1311253