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2-(3-(Methoxymethoxy)propyl)-2-(4-nitrobut-3-en-1-yl)-1,3-dithiane
SpectraBase Compound ID JxIoUwmkfNr
InChI InChI=1S/C13H23NO4S2/c1-17-12-18-9-4-7-13(19-10-5-11-20-13)6-2-3-8-14(15)16/h3,8H,2,4-7,9-12H2,1H3/b8-3+
InChIKey LLIBLEFRINTFAW-FPYGCLRLSA-N
Mol Weight 321.45 g/mol
Molecular Formula C13H23NO4S2
Exact Mass 321.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GL76TN7swk
Name 2-(3-(Methoxymethoxy)propyl)-2-(4-nitrobut-3-en-1-yl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO4S2
InChI InChI=1S/C13H23NO4S2/c1-17-12-18-9-4-7-13(19-10-5-11-20-13)6-2-3-8-14(15)16/h3,8H,2,4-7,9-12H2,1H3/b8-3+
InChIKey LLIBLEFRINTFAW-FPYGCLRLSA-N
Molecular Weight 321.450 g/mol
SMILES C1(SCCCS1)(CC\C=C\N(=O)=O)CCCOCOC
SPLASH splash10-0002-9050000000-462c4cfcebf199aa1219
Source of Spectrum F-62-7705-16
Synonyms 2-[3-(methoxymethoxy)propyl]-2-[(3E)-4-nitro-3-butenyl]-1,3-dithiane
Wiley ID 1640308