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1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one
SpectraBase Compound ID 2lI6zOFntRk
InChI InChI=1S/C11H10N2O3S/c14-10-3-4-13(11(17)12-10)7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H,12,14,17)
InChIKey ZKHJPAFRGWXUMB-UHFFFAOYSA-N
Mol Weight 250.27 g/mol
Molecular Formula C11H10N2O3S
Exact Mass 250.041213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfZFK5uEmjB
Name 1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one
Compound Number 10
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Formula C11H10N2O3S
InChI InChI=1S/C11H10N2O3S/c14-10-3-4-13(11(17)12-10)7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H,12,14,17)
InChIKey ZKHJPAFRGWXUMB-UHFFFAOYSA-N
Literature Reference Author K.BERESNEVICIUTE,Z.BERESNEVICIUS,G.MIKULSKIENE,J.KIHLBERG,J. BRODDEFALK
Literature Reference Citation MAGN.RES.CHEM.,35,553(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199708)35:8<553::aid-omr109>3.0.co;2-y
Molecular Weight 250.272 g/mol
Solvent DMSO-D6
Source File Reference UWCP4137