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2-(3-(Methoxymethoxy)propyl)-2-(3-hydroxy-4-nitrobutyl)-1,3-dithiane
SpectraBase Compound ID 8OZ0q7Vrgut
InChI InChI=1S/C13H25NO5S2/c1-18-11-19-7-2-5-13(20-8-3-9-21-13)6-4-12(15)10-14(16)17/h12,15H,2-11H2,1H3
InChIKey UTKBKGNNFIUKMB-UHFFFAOYSA-N
Mol Weight 339.47 g/mol
Molecular Formula C13H25NO5S2
Exact Mass 339.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHcZbEGOSl9
Name 2-(3-(Methoxymethoxy)propyl)-2-(3-hydroxy-4-nitrobutyl)-1,3-dithiane
Alternate Name(s) 4-{2-[3-(methoxymethoxy)propyl]-1,3-dithian-2-yl}-1-nitro-2-butanol
Comments Less than 3 mono-isotopic peaks
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Formula C13H25NO5S2
InChI InChI=1S/C13H25NO5S2/c1-18-11-19-7-2-5-13(20-8-3-9-21-13)6-4-12(15)10-14(16)17/h12,15H,2-11H2,1H3
InChIKey UTKBKGNNFIUKMB-UHFFFAOYSA-N
Molecular Weight 339.465 g/mol
SMILES OC(CCC1(SCCCS1)CCCOCOC)CN(=O)=O
SPLASH splash10-0002-9000000000-2fe321a47a247ab62fc3
Source of Spectrum F-62-7705-15
Wiley ID 1640309