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OCTAHYDRO-2-BENZYL-5-(2-PYRIMIDINYL)-PYRROLO-[3,4-C]-PYRROLE
SpectraBase Compound ID 3UQOnF64PYV
InChI InChI=1S/C17H20N4.ClH/c1-2-5-14(6-3-1)9-20-10-15-12-21(13-16(15)11-20)17-18-7-4-8-19-17;/h1-8,15-16H,9-13H2;1H
InChIKey JVLURUOPYIPCIW-UHFFFAOYSA-N
Mol Weight 316.84 g/mol
Molecular Formula C17H21ClN4
Exact Mass 316.145474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMcbXqVdxcr
Name OCTAHYDRO-2-BENZYL-5-(2-PYRIMIDINYL)-PYRROLO-[3,4-C]-PYRROLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN4
InChI InChI=1S/C17H20N4.ClH/c1-2-5-14(6-3-1)9-20-10-15-12-21(13-16(15)11-20)17-18-7-4-8-19-17;/h1-8,15-16H,9-13H2;1H
InChIKey JVLURUOPYIPCIW-UHFFFAOYSA-N
Literature Reference Author C.J.JR.OHNMACHT,C.W.DRAPER,R.F.DEDINAS,P.LOFTUS,J.J.WONG
Literature Reference Citation J.HETCYCL.CHEM.,20,321(1983)
Literature Reference DOI 10.1002/jhet.5570200212
Molecular Weight 316.834 g/mol
Solvent DMSO-D6
Source File Reference UWED25146