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5,6-DIHYDRO-3-MORPHOLINO-1,2,4-TRIAZOLO-[3,4-B]-1,3,5-TRIAZEPIN-5(9H)-THIONE
SpectraBase Compound ID 8vpj61Ag1Bj
InChI InChI=1S/C9H12N6OS/c17-9-11-2-1-10-7-12-13-8(15(7)9)14-3-5-16-6-4-14/h1-2H,3-6H2,(H,10,12)(H,11,17)
InChIKey WRMUEMPYULUBHM-UHFFFAOYSA-N
Mol Weight 252.3 g/mol
Molecular Formula C9H12N6OS
Exact Mass 252.07933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TtnKH31wnm
Name 5,6-DIHYDRO-3-MORPHOLINO-1,2,4-TRIAZOLO-[3,4-B]-1,3,5-TRIAZEPIN-5(9H)-THIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N6OS
InChI InChI=1S/C9H12N6OS/c17-9-11-2-1-10-7-12-13-8(15(7)9)14-3-5-16-6-4-14/h1-2H,3-6H2,(H,10,12)(H,11,17)
InChIKey WRMUEMPYULUBHM-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,28,1597(1991)
Literature Reference DOI 10.1002/jhet.5570280624
Molecular Weight 252.294 g/mol
Solvent DMSO-D6
Source File Reference UWCP3735