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8-METHOXY-2-OXO-2H-PYRIMIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBONITRILE
SpectraBase Compound ID AxSnp8wtV7G
InChI InChI=1S/C12H7N3O2S/c1-17-8-2-3-9-10(4-8)18-12-14-11(16)7(5-13)6-15(9)12/h2-4,6H,1H3
InChIKey IUOVQCKZGXFDNY-UHFFFAOYSA-N
Mol Weight 257.27 g/mol
Molecular Formula C12H7N3O2S
Exact Mass 257.025898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Q9ULOSiCe1
Name 8-METHOXY-2-OXO-2H-PYRIMIDO-[2,1-B]-BENZOTHIAZOLE-3-CARBONITRILE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7N3O2S
InChI InChI=1S/C12H7N3O2S/c1-17-8-2-3-9-10(4-8)18-12-14-11(16)7(5-13)6-15(9)12/h2-4,6H,1H3
InChIKey IUOVQCKZGXFDNY-UHFFFAOYSA-N
Literature Reference Author J.STETINOVA,R.KADA,J.LESKO
Literature Reference Citation MOLECULES,1,251(1996)
Literature Reference DOI 10.1007/s007830050044
Molecular Weight 257.266 g/mol
Solvent DMSO-D6
Source File Reference UWVN7040