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2-(3-BENZYL-3-METHYLTHIOUREIDO)-BENZOIC-ACID

View entire compound with spectra: 1 NMR

2-(3-BENZYL-3-METHYLTHIOUREIDO)-BENZOIC-ACID
SpectraBase Compound ID 5eMFzTp0fUZ
InChI InChI=1S/C16H16N2O2S/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)
InChIKey FAVMGIVDHHDQLX-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 JAa4QjvpxDT
Name 2-(3-BENZYL-3-METHYLTHIOUREIDO)-BENZOIC-ACID
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-18(11-12-7-3-2-4-8-12)16(21)17-14-10-6-5-9-13(14)15(19)20/h2-10H,11H2,1H3,(H,17,21)(H,19,20)
InChIKey FAVMGIVDHHDQLX-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 69064
Solvent DMSO-D6