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3-[[[(1R,2R)-2-AMINO-1,2-DIPHENYL-ETHYL]-AMINO]-CARBONYL]-PYRAZINE-CARBOXYLIC-ACID-HYDROCHLORIDE
SpectraBase Compound ID 49lxl0VAj4N
InChI InChI=1S/C20H18N4O3.ClH/c21-15(13-7-3-1-4-8-13)16(14-9-5-2-6-10-14)24-19(25)17-18(20(26)27)23-12-11-22-17;/h1-12,15-16H,21H2,(H,24,25)(H,26,27);1H/t15-,16-;/m1./s1
InChIKey VIGKWDQVCDIYFF-QNBGGDODSA-N
Mol Weight 398.85 g/mol
Molecular Formula C20H19ClN4O3
Exact Mass 398.114568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsVd35ubi6D
Name 3-[[[(1R,2R)-2-AMINO-1,2-DIPHENYL-ETHYL]-AMINO]-CARBONYL]-PYRAZINE-CARBOXYLIC-ACID-HYDROCHLORIDE
Compound Number 10D.HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19ClN4O3
InChI InChI=1S/C20H18N4O3.ClH/c21-15(13-7-3-1-4-8-13)16(14-9-5-2-6-10-14)24-19(25)17-18(20(26)27)23-12-11-22-17;/h1-12,15-16H,21H2,(H,24,25)(H,26,27);1H/t15-,16-;/m1./s1
InChIKey VIGKWDQVCDIYFF-QNBGGDODSA-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 398.849 g/mol
Sample ID 2028
Solvent DMSO-D6