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5-[(1R,2S)-1,2-BIS-(BENZYLOXY)-3-HYDROXY-PROPYL]-1,2-DIHYDRO-PYRIMIDINE-2-THIONE
SpectraBase Compound ID 7w734U2QVmt
InChI InChI=1S/C21H22N2O3S/c24-13-19(25-14-16-7-3-1-4-8-16)20(18-11-22-21(27)23-12-18)26-15-17-9-5-2-6-10-17/h1-12,19-20,24H,13-15H2,(H,22,23,27)/t19-,20-/m1/s1
InChIKey VQFKOEUEDZZQGF-WOJBJXKFSA-N
Mol Weight 382.48 g/mol
Molecular Formula C21H22N2O3S
Exact Mass 382.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5T8c2OvhY7
Name 5-[(1R,2S)-1,2-BIS-(BENZYLOXY)-3-HYDROXY-PROPYL]-1,2-DIHYDRO-PYRIMIDINE-2-THIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O3S
InChI InChI=1S/C21H22N2O3S/c24-13-19(25-14-16-7-3-1-4-8-16)20(18-11-22-21(27)23-12-18)26-15-17-9-5-2-6-10-17/h1-12,19-20,24H,13-15H2,(H,22,23,27)/t19-,20-/m1/s1
InChIKey VQFKOEUEDZZQGF-WOJBJXKFSA-N
Literature Reference Author A.BARI,H.FEIST,M.MICHALIK,K.PESEKE
Literature Reference Citation MOLECULES,10,837(2005)
Literature Reference DOI 10.3390/10080837
Molecular Weight 382.477 g/mol
Sample ID 56984
Solvent CDCl3