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9-BENZYL-8-ETHYL-7-OXO-2,3,5-TRIHYDROPYRIMIDO-[3,2-C]-1,5,3-OXATHIAZEPINE
SpectraBase Compound ID JzU0IzQRYRR
InChI InChI=1S/C16H18N2O2S/c1-2-13-14(10-12-6-4-3-5-7-12)17-16-18(15(13)19)11-20-8-9-21-16/h3-7H,2,8-11H2,1H3
InChIKey AUHWJXLQJBPPOI-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C16H18N2O2S
Exact Mass 302.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AarVjwrSLKC
Name 9-BENZYL-8-ETHYL-7-OXO-2,3,5-TRIHYDROPYRIMIDO-[3,2-C]-1,5,3-OXATHIAZEPINE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O2S
InChI InChI=1S/C16H18N2O2S/c1-2-13-14(10-12-6-4-3-5-7-12)17-16-18(15(13)19)11-20-8-9-21-16/h3-7H,2,8-11H2,1H3
InChIKey AUHWJXLQJBPPOI-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 302.391 g/mol
Solvent CDCl3
Source File Reference UWCS25491