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METHYL-2-(3-METHYL-3-PHENYLTHIOUREIDO)-BENZOATE
SpectraBase Compound ID 6jz6sL5GXe7
InChI InChI=1S/C16H16N2O2S/c1-18(12-8-4-3-5-9-12)16(21)17-14-11-7-6-10-13(14)15(19)20-2/h3-11H,1-2H3,(H,17,21)
InChIKey FFJJIKXMWUUSSJ-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3mbR7V0cAG
Name METHYL-2-(3-METHYL-3-PHENYLTHIOUREIDO)-BENZOATE
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-18(12-8-4-3-5-9-12)16(21)17-14-11-7-6-10-13(14)15(19)20-2/h3-11H,1-2H3,(H,17,21)
InChIKey FFJJIKXMWUUSSJ-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 300.375 g/mol
Sample ID 69052
Solvent DMSO-D6