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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 undecyl ester
SpectraBase Compound ID 3yL8lEMs3d0
InChI InChI=1S/C21H38N2O3S/c1-2-3-4-5-6-7-8-9-12-15-26-19(24)14-11-10-13-18-20-17(16-27-18)22-21(25)23-20/h17-18,20H,2-16H2,1H3,(H2,22,23,25)/t17-,18-,20-/m0/s1
InChIKey LDPFHEIBWRRNPC-BJLQDIEVSA-N
Mol Weight 398.6 g/mol
Molecular Formula C21H38N2O3S
Exact Mass 398.260314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTFWvlGwWmm
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid undecyl 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 undecyl ester undecyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate undecyl 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 C21H38N2O3S
InChI InChI=1S/C21H38N2O3S/c1-2-3-4-5-6-7-8-9-12-15-26-19(24)14-11-10-13-18-20-17(16-27-18)22-21(25)23-20/h17-18,20H,2-16H2,1H3,(H2,22,23,25)/t17-,18-,20-/m0/s1
InChIKey LDPFHEIBWRRNPC-BJLQDIEVSA-N
Molecular Weight 398.606 g/mol
SMILES N1[C@@]2([C@@](SC[C@@]2(NC1=O)[H])(CCCCC(=O)OCCCCCCCCCCC)[H])[H]
SPLASH splash10-014i-4922000000-77c8f9646c422be05853
Source of Spectrum SK-27-2213-10
Wiley ID 867983