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5,8-DIHYDRO-2-(METHYLTHIO)-4-OXO-4H-THIOPYRANO-[4',3':4,5]-THIENO-[2,3-D]-PYRIMIDIN-3(6H)-ACETIC-ACID-ETHYLESTER
SpectraBase Compound ID J6P6VkA1HCo
InChI InChI=1S/C14H16N2O3S3/c1-3-19-10(17)6-16-13(18)11-8-4-5-21-7-9(8)22-12(11)15-14(16)20-2/h3-7H2,1-2H3
InChIKey PNLMZOZPWVTZFL-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C14H16N2O3S3
Exact Mass 356.032306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPmunvzDILF
Name 5,8-DIHYDRO-2-(METHYLTHIO)-4-OXO-4H-THIOPYRANO-[4',3':4,5]-THIENO-[2,3-D]-PYRIMIDIN-3(6H)-ACETIC-ACID-ETHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2O3S3
InChI InChI=1S/C14H16N2O3S3/c1-3-19-10(17)6-16-13(18)11-8-4-5-21-7-9(8)22-12(11)15-14(16)20-2/h3-7H2,1-2H3
InChIKey PNLMZOZPWVTZFL-UHFFFAOYSA-N
Literature Reference Author F.SAUTER,J.FROEHLICH,E.K.AHMED
Literature Reference Citation MH.CHEM.,127,319(1996)
Literature Reference DOI 10.1007/BF00813798
Molecular Weight 356.473 g/mol
Solvent DMSO-D6
Source File Reference UWKA19