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METHYL-2-(3,3-DIETHYLTHIOUREIDO)-BENZOATE
SpectraBase Compound ID 5a61OKD8ceR
InChI InChI=1S/C13H18N2O2S/c1-4-15(5-2)13(18)14-11-9-7-6-8-10(11)12(16)17-3/h6-9H,4-5H2,1-3H3,(H,14,18)
InChIKey ZWSGCDBJMCWODL-UHFFFAOYSA-N
Mol Weight 266.36 g/mol
Molecular Formula C13H18N2O2S
Exact Mass 266.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VSGAtisMBT
Name METHYL-2-(3,3-DIETHYLTHIOUREIDO)-BENZOATE
Compound Number 1 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O2S
InChI InChI=1S/C13H18N2O2S/c1-4-15(5-2)13(18)14-11-9-7-6-8-10(11)12(16)17-3/h6-9H,4-5H2,1-3H3,(H,14,18)
InChIKey ZWSGCDBJMCWODL-UHFFFAOYSA-N
Literature Reference Author H.G.HAECKER,F.GRUNDMANN,F.LOHR,P.A.OTTERSBACH,J.ZHOU,G.SCHNA KENBURG,M.GUETSCHOW
Literature Reference Citation MOLECULES,14,378(2009)
Literature Reference DOI 10.3390/molecules14010378
Molecular Weight 266.358 g/mol
Sample ID 69047
Solvent CDCl3