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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 lauryl ester
SpectraBase Compound ID DJUameLm7T9
InChI InChI=1S/C22H40N2O3S/c1-2-3-4-5-6-7-8-9-10-13-16-27-20(25)15-12-11-14-19-21-18(17-28-19)23-22(26)24-21/h18-19,21H,2-17H2,1H3,(H2,23,24,26)/t18-,19-,21-/m0/s1
InChIKey UOGHJZZFVXRMAA-ZJOUEHCJSA-N
Mol Weight 412.6 g/mol
Molecular Formula C22H40N2O3S
Exact Mass 412.275964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItfzcXnPpKI
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid lauryl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40N2O3S
InChI InChI=1S/C22H40N2O3S/c1-2-3-4-5-6-7-8-9-10-13-16-27-20(25)15-12-11-14-19-21-18(17-28-19)23-22(26)24-21/h18-19,21H,2-17H2,1H3,(H2,23,24,26)/t18-,19-,21-/m0/s1
InChIKey UOGHJZZFVXRMAA-ZJOUEHCJSA-N
Molecular Weight 412.633 g/mol
SMILES N1[C@@]2([C@@](SC[C@@]2(NC1=O)[H])(CCCCC(=O)OCCCCCCCCCCCC)[H])[H]
SPLASH splash10-014i-0931000000-537c2d08f4f1ebae1f6e
Source of Spectrum SK-27-2212-9
Synonyms 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid dodecyl ester Dodecyl 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate Dodecyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Wiley ID 867984