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5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-propyl-valeramide
SpectraBase Compound ID HHafvoZNIfW
InChI InChI=1S/C13H23N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey TULLSVIZKKYXJY-NHCYSSNCSA-N
Mol Weight 285.41 g/mol
Molecular Formula C13H23N3O2S
Exact Mass 285.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HBJuNmialk
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-propyl-valeramide
Alternate Name(s) 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-propyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-propyl-pentanamide
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Formula C13H23N3O2S
InChI InChI=1S/C13H23N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey TULLSVIZKKYXJY-NHCYSSNCSA-N
Molecular Weight 285.406 g/mol
SMILES N1[C@@]2([C@](CCCCC(=O)NCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-0ufr-0930000000-c44c854348a03e15b927
Source of Spectrum SK-27-2211-7
Wiley ID 867986