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5-[(3aR,6S,6aS)-2-oxo-3-(phenylmethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester
SpectraBase Compound ID Er0BcyO76Ca
InChI InChI=1S/C18H24N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3,(H,19,22)/t14-,15-,17-/m0/s1
InChIKey FVMNCONPIAKJNV-ZOBUZTSGSA-N
Mol Weight 348.46 g/mol
Molecular Formula C18H24N2O3S
Exact Mass 348.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fg3vRaMkQI
Name 5-[(3aR,6S,6aS)-2-oxo-3-(phenylmethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester
Alternate Name(s) 5-[(3aR,6S,6aS)-3-benzyl-2-keto-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-6-yl]valeric acid methyl ester Methyl 5-[(3aR,6S,6aS)-2-oxidanylidene-3-(phenylmethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate Methyl 5-[(3aR,6S,6aS)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate
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Formula C18H24N2O3S
InChI InChI=1S/C18H24N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3,(H,19,22)/t14-,15-,17-/m0/s1
InChIKey FVMNCONPIAKJNV-ZOBUZTSGSA-N
Molecular Weight 348.461 g/mol
SMILES N1[C@]2([C@@](N(C1=O)Cc1ccccc1)(CS[C@]2(CCCCC(=O)OC)[H])[H])[H]
SPLASH splash10-0006-9101000000-d24b7fe72b15e86c8af0
Source of Spectrum J-60-328-16
Wiley ID 1340528