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5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid propyl ester
SpectraBase Compound ID GIvGuc0Efs8
InChI InChI=1S/C13H22N2O3S/c1-2-7-18-11(16)6-4-3-5-10-12-9(8-19-10)14-13(17)15-12/h9-10,12H,2-8H2,1H3,(H2,14,15,17)/t9-,10-,12-/m0/s1
InChIKey JCWKQGVHQJEXGR-NHCYSSNCSA-N
Mol Weight 286.39 g/mol
Molecular Formula C13H22N2O3S
Exact Mass 286.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbpCB1BG4gL
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid propyl ester
Alternate Name(s) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid propyl ester Propyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate Propyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
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Formula C13H22N2O3S
InChI InChI=1S/C13H22N2O3S/c1-2-7-18-11(16)6-4-3-5-10-12-9(8-19-10)14-13(17)15-12/h9-10,12H,2-8H2,1H3,(H2,14,15,17)/t9-,10-,12-/m0/s1
InChIKey JCWKQGVHQJEXGR-NHCYSSNCSA-N
Molecular Weight 286.390 g/mol
SMILES N1[C@@]2([C@@](SC[C@@]2(NC1=O)[H])(CCCCC(=O)OCCC)[H])[H]
SPLASH splash10-00mk-9780000000-0350209743543b1d60dd
Source of Spectrum SK-27-2214-13
Wiley ID 867980