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trans 6-Butyl-4-(1-nitroethyl)piperidine-2-thione isomer
SpectraBase Compound ID 26u9m8xqaSB
InChI InChI=1S/C11H20N2O2S/c1-3-4-5-10-6-9(7-11(16)12-10)8(2)13(14)15/h8-10H,3-7H2,1-2H3,(H,12,16)/t8?,9-,10-/m1/s1
InChIKey IXPQTKUMSMZWRE-VXRWAFEHSA-N
Mol Weight 244.35 g/mol
Molecular Formula C11H20N2O2S
Exact Mass 244.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqRRKUIED2i
Name trans 6-Butyl-4-(1-nitroethyl)piperidine-2-thione isomer
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Formula C11H20N2O2S
InChI InChI=1S/C11H20N2O2S/c1-3-4-5-10-6-9(7-11(16)12-10)8(2)13(14)15/h8-10H,3-7H2,1-2H3,(H,12,16)/t8?,9-,10-/m1/s1
InChIKey IXPQTKUMSMZWRE-VXRWAFEHSA-N
Molecular Weight 244.353 g/mol
SMILES N1C(C[C@@](C[C@]1(CCCC)[H])(C(N(=O)=O)C)[H])=S
SPLASH splash10-01oy-6930000000-283f7355354066cf61a7
Source of Spectrum F-65-1346-7p
Wiley ID 1681832