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5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-lauryl-valeramide
SpectraBase Compound ID 97S77mIKVe
InChI InChI=1S/C22H41N3O2S/c1-2-3-4-5-6-7-8-9-10-13-16-23-20(26)15-12-11-14-19-21-18(17-28-19)24-22(27)25-21/h18-19,21H,2-17H2,1H3,(H,23,26)(H2,24,25,27)/t18-,19-,21-/m0/s1
InChIKey VHLKJKKVTXPBJX-ZJOUEHCJSA-N
Mol Weight 411.6 g/mol
Molecular Formula C22H41N3O2S
Exact Mass 411.291949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfdIH0Ezyr1
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-lauryl-valeramide
Alternate Name(s) 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-dodecyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-dodecyl-pentanamide
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Formula C22H41N3O2S
InChI InChI=1S/C22H41N3O2S/c1-2-3-4-5-6-7-8-9-10-13-16-23-20(26)15-12-11-14-19-21-18(17-28-19)24-22(27)25-21/h18-19,21H,2-17H2,1H3,(H,23,26)(H2,24,25,27)/t18-,19-,21-/m0/s1
InChIKey VHLKJKKVTXPBJX-ZJOUEHCJSA-N
Molecular Weight 411.649 g/mol
SMILES N1[C@@]2([C@](CCCCC(=O)NCCCCCCCCCCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-0v0a-0923000000-0c7a145b130a364571ed
Source of Spectrum SK-27-2210-3
Wiley ID 867990