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4-methylbenzenesulfonic acid (2-ketohexahydropyrimidin-5-yl) ester

View entire compound with spectra: 1 NMR

4-methylbenzenesulfonic acid (2-ketohexahydropyrimidin-5-yl) ester
SpectraBase Compound ID 91MVfmYbdXt
InChI InChI=1S/C11H14N2O4S/c1-8-2-4-10(5-3-8)18(15,16)17-9-6-12-11(14)13-7-9/h2-5,9H,6-7H2,1H3,(H2,12,13,14)
InChIKey ILUKXHMDKGGYDI-UHFFFAOYSA-N
Mol Weight 270.3 g/mol
Molecular Formula C11H14N2O4S
Exact Mass 270.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GClAYjgv0lH
Name 4-methylbenzenesulfonic acid (2-ketohexahydropyrimidin-5-yl) ester
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N2O4S
InChI InChI=1S/C11H14N2O4S/c1-8-2-4-10(5-3-8)18(15,16)17-9-6-12-11(14)13-7-9/h2-5,9H,6-7H2,1H3,(H2,12,13,14)
InChIKey ILUKXHMDKGGYDI-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 270.303 g/mol
Source File Reference MHKO9778