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TRANS-(+/-)-4-ACETAMINO-1-[2-(BENZOYLOXYMETHYL)-1,3-OXATHIOLAN-5-YL]-2(1H)-PYRIMIDINONE
SpectraBase Compound ID GAmHORIhYG3
InChI InChI=1S/C17H17N3O5S/c1-11(21)18-13-7-8-20(17(23)19-13)14-10-26-15(25-14)9-24-16(22)12-5-3-2-4-6-12/h2-8,14-15H,9-10H2,1H3,(H,18,19,21,23)/t14-,15-/m1/s1
InChIKey MKSGJSLVQHXINJ-HUUCEWRRSA-N
Mol Weight 375.4 g/mol
Molecular Formula C17H17N3O5S
Exact Mass 375.088892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg5DNw0C4Xv
Name TRANS-(+/-)-4-ACETAMINO-1-[2-(BENZOYLOXYMETHYL)-1,3-OXATHIOLAN-5-YL]-2(1H)-PYRIMIDINONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3O5S
InChI InChI=1S/C17H17N3O5S/c1-11(21)18-13-7-8-20(17(23)19-13)14-10-26-15(25-14)9-24-16(22)12-5-3-2-4-6-12/h2-8,14-15H,9-10H2,1H3,(H,18,19,21,23)/t14-,15-/m1/s1
InChIKey MKSGJSLVQHXINJ-HUUCEWRRSA-N
Literature Reference Author Y.SHEN,L.XIANG,Y.DENG,Y.G.ZHONG
Literature Reference Citation CHIN.CHEM.LETT.,17,431(2006)
Molecular Weight 375.399 g/mol
Sample ID 35771
Solvent CDCl3