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(1S*,6aR*,10aR*)-Octahydro-1-O-[imidazolyl(thiocarbonyl)]-2H-cyclohexa[h]pyrrolizin-2-one
SpectraBase Compound ID 9DJRWcI2iqT
InChI InChI=1S/C15H19N3O2S/c19-11-9-18-8-4-10-3-1-2-5-15(10,18)12(11)20-14(21)13-16-6-7-17-13/h6-7,10,12H,1-5,8-9H2,(H,16,17)/t10-,12-,15-/m1/s1
InChIKey ABFZPHIQZBUDER-IXPVHAAZSA-N
Mol Weight 305.4 g/mol
Molecular Formula C15H19N3O2S
Exact Mass 305.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XB4bDIHktF
Name (1S*,6aR*,10aR*)-Octahydro-1-O-[imidazolyl(thiocarbonyl)]-2H-cyclohexa[h]pyrrolizin-2-one
Alternate Name(s) (1S*,6aR*,10aR*)-Octahydro-1-O-[imidazolyl(thionylcarbo)]-2H-cyclohexa[h]pyrrolizin-2-one 1H-Imidazole-2-carbothioic acid O-((1S,6aR,10aR)-2-oxo-octahydro-pyrrolo[2,1-i]indol-1-yl) ester S-(1H-imidazol-2-yl) (1S,6aR,10aR)-2-oxooctahydro-1H,5H-pyrrolo[2,1-i]indole-1-carbothioate
Comments Less than 3 mono-isotopic peaks
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Formula C15H19N3O2S
InChI InChI=1S/C15H19N3O2S/c19-11-9-18-8-4-10-3-1-2-5-15(10,18)12(11)20-14(21)13-16-6-7-17-13/h6-7,10,12H,1-5,8-9H2,(H,16,17)/t10-,12-,15-/m1/s1
InChIKey ABFZPHIQZBUDER-IXPVHAAZSA-N
Molecular Weight 305.396 g/mol
SMILES [nH]1ccnc1C(O[C@]1([C@@]23N(CC[C@]3(CCCC2)[H])CC1=O)[H])=S
SPLASH splash10-0006-0900000000-79ea30c5c817a2fece7a
Source of Spectrum J-63-1615-26
Wiley ID 1307228