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3-[[[(1R,2R)-2-AMINO-CYCLOHEXYL]-AMINO]-CARBONYL]-PYRAZINE-CARBOXYLIC-ACID-HYDROCHLORIDE
SpectraBase Compound ID Ein4ZWUqDQE
InChI InChI=1S/C12H16N4O3.ClH/c13-7-3-1-2-4-8(7)16-11(17)9-10(12(18)19)15-6-5-14-9;/h5-8H,1-4,13H2,(H,16,17)(H,18,19);1H/t7-,8-;/m1./s1
InChIKey PUIBQCRHOXBRFM-SCLLHFNJSA-N
Mol Weight 300.75 g/mol
Molecular Formula C12H17ClN4O3
Exact Mass 300.098918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3v8eUhkly4
Name 3-[[[(1R,2R)-2-AMINO-CYCLOHEXYL]-AMINO]-CARBONYL]-PYRAZINE-CARBOXYLIC-ACID-HYDROCHLORIDE
Compound Number 7D.HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClN4O3
InChI InChI=1S/C12H16N4O3.ClH/c13-7-3-1-2-4-8(7)16-11(17)9-10(12(18)19)15-6-5-14-9;/h5-8H,1-4,13H2,(H,16,17)(H,18,19);1H/t7-,8-;/m1./s1
InChIKey PUIBQCRHOXBRFM-SCLLHFNJSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,M.OISHI,T.MIYATA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,56,1052(2008)
Literature Reference DOI 10.1248/cpb.56.1052
Molecular Weight 300.745 g/mol
Sample ID 2021
Solvent DMSO-D6