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2-(2-Benzyloxy-1-nitromethylpropyl)[1,3]dithiane
SpectraBase Compound ID 3Eo4mZJ3Yxf
InChI InChI=1S/C15H21NO3S2/c1-12(19-11-13-6-3-2-4-7-13)14(10-16(17)18)15-20-8-5-9-21-15/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey NPNYTQYQXSVTNL-UHFFFAOYSA-N
Mol Weight 327.46 g/mol
Molecular Formula C15H21NO3S2
Exact Mass 327.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZoZFbm14Zi
Name 2-(2-Benzyloxy-1-nitromethylpropyl)[1,3]dithiane
Alternate Name(s) 2-(1-nitro-3-phenylmethoxy-butan-2-yl)-1,3-dithiane 2-[2-benzoxy-1-(nitromethyl)propyl]-1,3-dithiane 2-(1-nitro-3-phenylmethoxybutan-2-yl)-1,3-dithiane
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Formula C15H21NO3S2
InChI InChI=1S/C15H21NO3S2/c1-12(19-11-13-6-3-2-4-7-13)14(10-16(17)18)15-20-8-5-9-21-15/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey NPNYTQYQXSVTNL-UHFFFAOYSA-N
Molecular Weight 327.457 g/mol
SMILES C1CCSC(S1)C(CN(=O)=O)C(C)OCc1ccccc1
SPLASH splash10-0007-9600000000-54b42b964de81607bee2
Wiley ID 1483576