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1-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SpectraBase Compound ID 41TSFAuurMB
InChI InChI=1S/C12H12N2O3S/c1-7-4-11(15)13-12(18)14(7)8-2-3-9-10(5-8)17-6-16-9/h2-3,5,7H,4,6H2,1H3,(H,13,15,18)
InChIKey UWVYNHNEZVAFBY-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjHfl0KzzoC
Name 1-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
Compound Number 12
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Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c1-7-4-11(15)13-12(18)14(7)8-2-3-9-10(5-8)17-6-16-9/h2-3,5,7H,4,6H2,1H3,(H,13,15,18)
InChIKey UWVYNHNEZVAFBY-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 264.299 g/mol
Solvent DMSO-D6
Source File Reference UWCP4139