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1-(3-NITROPHENYL)-6,7,8,9-TETRAHYDRO-4H-BENZO-[4,5]-THIENO-[2,3-D]-[1,2,4]-TRIAZOLO-[3,4-B]-PYRIMIDIN-5-ONE
SpectraBase Compound ID SbHjH3ygs1
InChI InChI=1S/C17H13N5O3S/c23-15-13-11-6-1-2-7-12(11)26-16(13)21-14(19-20-17(21)18-15)9-4-3-5-10(8-9)22(24)25/h3-5,8H,1-2,6-7H2,(H,18,20,23)
InChIKey SREIWUBMFMDJPH-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C17H13N5O3S
Exact Mass 367.07391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BQcxdAtuAh
Name 1-(3-NITROPHENYL)-6,7,8,9-TETRAHYDRO-4H-BENZO-[4,5]-THIENO-[2,3-D]-[1,2,4]-TRIAZOLO-[3,4-B]-PYRIMIDIN-5-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13N5O3S
InChI InChI=1S/C17H13N5O3S/c23-15-13-11-6-1-2-7-12(11)26-16(13)21-14(19-20-17(21)18-15)9-4-3-5-10(8-9)22(24)25/h3-5,8H,1-2,6-7H2,(H,18,20,23)
InChIKey SREIWUBMFMDJPH-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 367.382 g/mol
Sample ID 70961
Solvent DMSO-D6