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2-(2-nitroimidazol-1-yl)ethyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

View entire compound with spectra: 1 MS (GC)

2-(2-nitroimidazol-1-yl)ethyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
SpectraBase Compound ID 5iwFFLzLLv9
InChI InChI=1S/C15H21N5O5S/c21-12(25-8-7-19-6-5-16-15(19)20(23)24)4-2-1-3-11-13-10(9-26-11)17-14(22)18-13/h5-6,10-11,13H,1-4,7-9H2,(H2,17,18,22)/t10-,11-,13-/m0/s1
InChIKey ZTWPCJLEEVFZIY-GVXVVHGQSA-N
Mol Weight 383.42 g/mol
Molecular Formula C15H21N5O5S
Exact Mass 383.12634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K36pbUAyI8h
Name 2-(2-nitroimidazol-1-yl)ethyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
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Formula C15H21N5O5S
InChI InChI=1S/C15H21N5O5S/c21-12(25-8-7-19-6-5-16-15(19)20(23)24)4-2-1-3-11-13-10(9-26-11)17-14(22)18-13/h5-6,10-11,13H,1-4,7-9H2,(H2,17,18,22)/t10-,11-,13-/m0/s1
InChIKey ZTWPCJLEEVFZIY-GVXVVHGQSA-N
Molecular Weight 383.423 g/mol
SMILES N1[C@]2([C@@](NC1=O)(CS[C@]2(CCCCC(OCC[n]1c(N(=O)=O)ncc1)=O)[H])[H])[H]
SPLASH splash10-002f-0962000000-ef724e74d5e1b9fd9d03
Source of Spectrum E1-37-4355-2
Synonyms 2-(2-nitroimidazol-1-yl)ethyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid 2-(2-nitroimidazol-1-yl)ethyl ester 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid 2-(2-nitro-1-imidazolyl)ethyl ester
Wiley ID 1575444