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BENZYL-2-CYANO-2-(1,2,3,4-TETRAHYDRO-4-OXOTHIENO-[3,2-D]-PYRIMIDIN-2-YLIDENE)-ACETATE
SpectraBase Compound ID 79vuoP4wTUw
InChI InChI=1S/C16H11N3O3S/c17-8-11(16(21)22-9-10-4-2-1-3-5-10)14-18-12-6-7-23-13(12)15(20)19-14/h1-7,18H,9H2,(H,19,20)/b14-11-
InChIKey WLTASMGZFQGDTI-KAMYIIQDSA-N
Mol Weight 325.34 g/mol
Molecular Formula C16H11N3O3S
Exact Mass 325.052112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPjsWxgd0vH
Name BENZYL-2-CYANO-2-(1,2,3,4-TETRAHYDRO-4-OXOTHIENO-[3,2-D]-PYRIMIDIN-2-YLIDENE)-ACETATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11N3O3S
InChI InChI=1S/C16H11N3O3S/c17-8-11(16(21)22-9-10-4-2-1-3-5-10)14-18-12-6-7-23-13(12)15(20)19-14/h1-7,18H,9H2,(H,19,20)/b14-11-
InChIKey WLTASMGZFQGDTI-KAMYIIQDSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,579(1991)
Literature Reference DOI 10.1002/hlca.19910740315
Molecular Weight 325.342 g/mol
Solvent DMSO-D6
Source File Reference UWVP5634