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Methyl (5RS,6RS,7RS)-5-(Imidazol-2-ylthiocarbonyloxy)-1-azabicyclo[5.3.0]decane-6-carboxylate
SpectraBase Compound ID LD9TBWItVsy
InChI InChI=1S/C15H21N3O3S/c1-20-14(19)12-10-4-2-8-18(10)9-3-5-11(12)21-15(22)13-16-6-7-17-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKey PQKQCYRHCBRABP-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C15H21N3O3S
Exact Mass 323.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Qpy5b42bGQ
Name Methyl (5RS,6RS,7RS)-5-(Imidazol-2-ylthiocarbonyloxy)-1-azabicyclo[5.3.0]decane-6-carboxylate
Alternate Name(s) Methyl 8-[(1H-imidazol-2-ylcarbothioyl)oxy]octahydro-1H-pyrrolo[1,2-a]azepine-9-carboxylate
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Formula C15H21N3O3S
InChI InChI=1S/C15H21N3O3S/c1-20-14(19)12-10-4-2-8-18(10)9-3-5-11(12)21-15(22)13-16-6-7-17-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKey PQKQCYRHCBRABP-UHFFFAOYSA-N
Molecular Weight 323.411 g/mol
SMILES [nH]1ccnc1C(OC1CCCN2C(C1C(=O)OC)CCC2)=S
SPLASH splash10-001s-2900000000-5e3f68552f48e7f20de6
Source of Spectrum K1-2004-4232-73
Wiley ID 1561659