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IAGGDWWDWVKOPZ-UHFFFAOYSA-N
SpectraBase Compound ID 4uoGhVOFsqc
InChI InChI=1S/C14H13BrN4OS/c1-21-14-18-12-11(13(20)19-14)17-10(6-7-16-12)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H2,16,18,19,20)
InChIKey IAGGDWWDWVKOPZ-UHFFFAOYSA-N
Mol Weight 365.25 g/mol
Molecular Formula C14H13BrN4OS
Exact Mass 363.999345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ViJNY1K4B1
Name 4-(4-BROMOPHENYL)-8-METHYLTHIO-2,3,6,7-TETRAHYDRO-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13BrN4OS
InChI InChI=1S/C14H13BrN4OS/c1-21-14-18-12-11(13(20)19-14)17-10(6-7-16-12)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H2,16,18,19,20)
InChIKey IAGGDWWDWVKOPZ-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,J.C.ARGOTI,S.GOMEZ,J.QUIROGA,R.MARTINEZ,E.ANGELES ,R.GABINO,M.NOGUERAS
Literature Reference Citation J.HETCYCL.CHEM.,35,1397(1998)
Literature Reference DOI 10.1002/jhet.5570350629
Molecular Weight 365.247 g/mol
Solvent DMSO-D6
Source File Reference UWCP8790