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1-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-methyl-2-sulfanylidene-1,3-diazinan-4-one

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1-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SpectraBase Compound ID GMqVAYVtEjt
InChI InChI=1S/C13H14N2O3S/c1-8-6-12(16)14-13(19)15(8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,7-8H,4-6H2,1H3,(H,14,16,19)
InChIKey BLEFPVRDYLZELX-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8N4Cst6l0R
Name 1-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-8-6-12(16)14-13(19)15(8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,7-8H,4-6H2,1H3,(H,14,16,19)
InChIKey BLEFPVRDYLZELX-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 278.326 g/mol
Solvent DMSO-D6
Source File Reference UWCP4145