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1H-Thieno[3,4-d]imidazol-2(3H)-one, tetrahydro-4-(1-hydroxypentyl)-, [3aS-[3a.alpha.,4.beta.(S*),6a.alpha.]]-
SpectraBase Compound ID DjDJsj5W3hm
InChI InChI=1S/C10H18N2O2S/c1-2-3-4-7(13)9-8-6(5-15-9)11-10(14)12-8/h6-9,13H,2-5H2,1H3,(H2,11,12,14)/t6-,7?,8-,9-/m0/s1
InChIKey LSBZZJDPUYFHFD-IVNRMCIBSA-N
Mol Weight 230.33 g/mol
Molecular Formula C10H18N2O2S
Exact Mass 230.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhWUxTExkZf
Name 1H-Thieno[3,4-d]imidazol-2(3H)-one, tetrahydro-4-(1-hydroxypentyl)-, [3aS-[3a.alpha.,4.beta.(S*),6a.alpha.]]-
Alternate Name(s) (3aS,4R,6aR)-4-(1-hydroxypentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one [3aS-[3a.beta.,4.alpha.(S*),6a.beta.]]-4-(1-hydroxypentyl)-1H-tetrahydrothieno[3,4-d]imidazol-2(3H)-one (3aS,4R,6aR)-4-(1-hydroxypentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one (3aS,4R,6aR)-4-(1-oxidanylpentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CAS Registry Number 76176-78-8
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18N2O2S
InChI InChI=1S/C10H18N2O2S/c1-2-3-4-7(13)9-8-6(5-15-9)11-10(14)12-8/h6-9,13H,2-5H2,1H3,(H2,11,12,14)/t6-,7?,8-,9-/m0/s1
InChIKey LSBZZJDPUYFHFD-IVNRMCIBSA-N
Molecular Weight 230.326 g/mol
SMILES N1[C@@]2([C@](C(O)CCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-000i-9200000000-62968eeaf399886e0068
Source of Spectrum F-43-4900-14
Wiley ID 1231348