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1-Benzyl-7-cyano-5-methoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID 6kZTPppkefn
InChI InChI=1S/C17H21N3O2/c1-17(12-18)10-14(15(21)22-2)20-9-8-19(16(17)20)11-13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3/t14-,16-,17-/m0/s1
InChIKey PCDZCZROCACXEL-XIRDDKMYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C17H21N3O2
Exact Mass 299.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ElzDiBBX5I
Name 1-BENZYL-7-CYANO-5-METHOXYCARBONYL-7-METHYLHEXAHYDRO-1H-PYRROLO-[1,2-A]-IMIDAZOLE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N3O2
InChI InChI=1S/C17H21N3O2/c1-17(12-18)10-14(15(21)22-2)20-9-8-19(16(17)20)11-13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3/t14-,16-,17-/m0/s1
InChIKey PCDZCZROCACXEL-XIRDDKMYSA-N
Literature Reference Author R.C.F.JONES,K.J.HOWARD,J.R.NICHOLS,J.S.SNAITH
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2061(1998)
Literature Reference DOI 10.1039/a802048e
Molecular Weight 299.373 g/mol
Solvent CDCl3
Source File Reference UWGE4004