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1-[2,2a,4,5,5a,6-Hexahydro-3H-4-oxothieno[3,4-d]imidazol-2-yl]-5-(2-nitroimidazol-1-yl)pentane

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1-[2,2a,4,5,5a,6-Hexahydro-3H-4-oxothieno[3,4-d]imidazol-2-yl]-5-(2-nitroimidazol-1-yl)pentane
SpectraBase Compound ID CW9HBQXwGfN
InChI InChI=1S/C13H19N5O3S/c19-12-15-9-8-22-10(11(9)16-12)4-2-1-3-6-17-7-5-14-13(17)18(20)21/h5,7,9-11H,1-4,6,8H2,(H2,15,16,19)/t9-,10-,11-/m0/s1
InChIKey YPUJHNUEMJJMLB-DCAQKATOSA-N
Mol Weight 325.39 g/mol
Molecular Formula C13H19N5O3S
Exact Mass 325.120861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZnqp8eoOtv
Name 1-[2,2A,4,5,5A,6-Hexahydro-3H-4-oxothieno[3,4-D]imidazol-2-yl]-5-(2-nitroimidazol-1-yl)pentane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.120860663 u
Formula C13H19N5O3S
InChI InChI=1S/C13H19N5O3S/c19-12-15-9-8-22-10(11(9)16-12)4-2-1-3-6-17-7-5-14-13(17)18(20)21/h5,7,9-11H,1-4,6,8H2,(H2,15,16,19)/t9-,10-,11-/m0/s1
InChIKey YPUJHNUEMJJMLB-DCAQKATOSA-N
Molecular Weight 325.387 g/mol
SMILES C=1(N(=O)=O)N(C=CN1)CCCCC[C@]1([C@]2(NC(=O)N[C@@]2([H])CS1)[H])[H]