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1-(ORTHO-NITROPHENYL)-2-(PARA-NITROPHENYL)-3-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINIUM-IODIDE
SpectraBase Compound ID GNg3Xud9JpZ
InChI InChI=1S/C17H17N4O4.HI/c1-18-11-4-12-19(15-5-2-3-6-16(15)21(24)25)17(18)13-7-9-14(10-8-13)20(22)23;/h2-3,5-10H,4,11-12H2,1H3;1H/q+1;/p-1
InChIKey KUYBIXAHDQZJME-UHFFFAOYSA-M
Mol Weight 468.25 g/mol
Molecular Formula C17H17IN4O4
Exact Mass 468.02945 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANi4XCdlPjY
Name 1-(ORTHO-NITROPHENYL)-2-(PARA-NITROPHENYL)-3-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINIUM-IODIDE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17IN4O4
InChI InChI=1S/C17H17N4O4.HI/c1-18-11-4-12-19(15-5-2-3-6-16(15)21(24)25)17(18)13-7-9-14(10-8-13)20(22)23;/h2-3,5-10H,4,11-12H2,1H3;1H/q+1;/p-1
InChIKey KUYBIXAHDQZJME-UHFFFAOYSA-M
Literature Reference Author M.B.GARCIA,I.A.PERILLO,L.R.ORELLI
Literature Reference Citation J.HETCYCL.CHEM.,38,1209(2001)
Literature Reference DOI 10.1002/jhet.5570380528
Molecular Weight 468.251 g/mol
Solvent CDCl3
Source File Reference UWLU21535