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9-(3,5-DIMETHYLBENZYL)-8-ETHYL-7-OXO-2,3,5-TRIHYDROPYRIMIDO-[3,2-C]-1,5,3-OXATHIAZEPINE
SpectraBase Compound ID K8KDi2ctW5F
InChI InChI=1S/C18H22N2O2S/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)19-18-20(17(15)21)11-22-5-6-23-18/h7-9H,4-6,10-11H2,1-3H3
InChIKey XEJTZXJFJUWQDT-UHFFFAOYSA-N
Mol Weight 330.45 g/mol
Molecular Formula C18H22N2O2S
Exact Mass 330.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cKTAEJouNU
Name 9-(3,5-DIMETHYLBENZYL)-8-ETHYL-7-OXO-2,3,5-TRIHYDROPYRIMIDO-[3,2-C]-1,5,3-OXATHIAZEPINE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O2S
InChI InChI=1S/C18H22N2O2S/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)19-18-20(17(15)21)11-22-5-6-23-18/h7-9H,4-6,10-11H2,1-3H3
InChIKey XEJTZXJFJUWQDT-UHFFFAOYSA-N
Literature Reference Author O.S.PEDERSEN,L.PETERSEN,M.BRANDT,C.NIELSEN,E.B.PEDERSEN
Literature Reference Citation MH.CHEM.,130,1499(1999)
Literature Reference DOI 10.1007/s007060050310
Molecular Weight 330.445 g/mol
Solvent CDCl3
Source File Reference UWCS25492