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(1S*,6AR*,10AR*)-OCTAHYDRO-1-O-(IMIDAZOYLTHIOCARBONYL)-2H-CYCLOHEXA-[H]-PYRROLIZINE-2-ONE
SpectraBase Compound ID 9vMFmBkD4mg
InChI InChI=1S/C15H19N3O2S/c19-13-12(20-14(21)17-9-7-16-10-17)11-4-1-2-5-15(11)6-3-8-18(13)15/h7,9-12H,1-6,8H2/t11-,12+,15+/m1/s1
InChIKey IRTOVZPVBQRWOX-XUJVJEKNSA-N
Mol Weight 305.4 g/mol
Molecular Formula C15H19N3O2S
Exact Mass 305.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55sCiGEQxyz
Name (1S*,6AR*,10AR*)-OCTAHYDRO-1-O-(IMIDAZOYLTHIOCARBONYL)-2H-CYCLOHEXA-[H]-PYRROLIZINE-2-ONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19N3O2S
InChI InChI=1S/C15H19N3O2S/c19-13-12(20-14(21)17-9-7-16-10-17)11-4-1-2-5-15(11)6-3-8-18(13)15/h7,9-12H,1-6,8H2/t11-,12+,15+/m1/s1
InChIKey IRTOVZPVBQRWOX-XUJVJEKNSA-N
Literature Reference Author S.E.DENMARK,D.S.MIDDLETON
Literature Reference Citation J.ORG.CHEM.,63,1604(1998)
Literature Reference DOI 10.1021/jo9719057
Molecular Weight 305.395 g/mol
Sample ID 27963
Solvent CDCl3