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4-Ethoxy-2,6-bis(methylsulfonyl)-5-octyl-pyrimidine

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4-Ethoxy-2,6-bis(methylsulfonyl)-5-octyl-pyrimidine
SpectraBase Compound ID 8KthpW92ajj
InChI InChI=1S/C16H28N2O5S2/c1-5-7-8-9-10-11-12-13-14(23-6-2)17-16(25(4,21)22)18-15(13)24(3,19)20/h5-12H2,1-4H3
InChIKey IOQAFYIPWHKWMJ-UHFFFAOYSA-N
Mol Weight 392.53 g/mol
Molecular Formula C16H28N2O5S2
Exact Mass 392.143964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B50RXESS8Q1
Name 4-ETHOXY-2,6-BIS-(METHYLSULFONYL)-5-OCTYLPYRIMIDINE
Compound Number 12D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28N2O5S2
InChI InChI=1S/C16H28N2O5S2/c1-5-7-8-9-10-11-12-13-14(23-6-2)17-16(25(4,21)22)18-15(13)24(3,19)20/h5-12H2,1-4H3
InChIKey IOQAFYIPWHKWMJ-UHFFFAOYSA-N
Literature Reference Author A.HERRERA,R.MARTINEZ-ALVAREZ,P.RAMIRO,J.ALMY,D.MOLERO,A.SANC HEZ
Literature Reference Citation EUR.J.ORG.CHEM.,3332(2006)
Molecular Weight 392.529 g/mol
Sample ID 32592
Solvent CDCl3