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2-((-Cyano-imino)-3-(2-methoxycarbonyl-ethyl)-hexahydro-pyrimidin-4-one
SpectraBase Compound ID DE5WbUGQTtM
InChI InChI=1S/C9H12N4O3/c1-16-8(15)3-5-13-7(14)2-4-11-9(13)12-6-10/h2-5H2,1H3,(H,11,12)
InChIKey BOMMPXQAOCRBFB-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C9H12N4O3
Exact Mass 224.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACKmWY3PPep
Name 2-((-Cyano-imino)-3-(2-methoxycarbonyl-ethyl)-hexahydro-pyrimidin-4-one
Comments VARIAN VXR-400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c1-16-8(15)3-5-13-7(14)2-4-11-9(13)12-6-10/h2-5H2,1H3,(H,11,12)
InChIKey BOMMPXQAOCRBFB-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference R. Besse, P.J. Garratt, C.J.Hobbs, Tetrahedron 46, 7803 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6