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3-AMINO-6-CHLORO-5-(ISOPROPYLAMINO)PYRAZINECARBOXYLIC ACID, METHYLESTER
SpectraBase Compound ID LEXa59jVVND
InChI InChI=1S/C9H13ClN4O2/c1-4(2)12-8-6(10)13-5(7(11)14-8)9(15)16-3/h4H,1-3H3,(H3,11,12,14)
InChIKey QGQKHPYCZAYLKB-UHFFFAOYSA-N
Mol Weight 244.68 g/mol
Molecular Formula C9H13ClN4O2
Exact Mass 244.072703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yMlQnM5zqi
Name 3-Amino-5-isopropylamino-6-chloro-pyrazine-2-carboxylic acid, methyl ester
CAS Registry Number 1458-23-7
Comments SHIFTCORRECTION: +1.0 PPM (FROM SHUTSKE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13ClN4O2
InChI InChI=1S/C9H13ClN4O2/c1-4(2)12-8-6(10)13-5(7(11)14-8)9(15)16-3/h4H,1-3H3,(H3,11,12,14)
InChIKey QGQKHPYCZAYLKB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference R.L. Smith, D.W. Cochran, P.Gund, J. Am. Chem. Soc. 101, 191 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6