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2-(3-METHYL-3-PHENYLTHIOUREIDO)-BENZOIC-ACID
SpectraBase Compound ID 535snhQOFo0
InChI InChI=1S/C15H14N2O2S/c1-17(11-7-3-2-4-8-11)15(20)16-13-10-6-5-9-12(13)14(18)19/h2-10H,1H3,(H,16,20)(H,18,19)
InChIKey QBOQWTPHYIDDSC-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C15H14N2O2S
Exact Mass 286.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEN0tqyMIQ5
Name 2-(3-METHYL-3-PHENYLTHIOUREIDO)-BENZOIC-ACID
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14N2O2S
InChI InChI=1S/C15H14N2O2S/c1-17(11-7-3-2-4-8-11)15(20)16-13-10-6-5-9-12(13)14(18)19/h2-10H,1H3,(H,16,20)(H,18,19)
InChIKey QBOQWTPHYIDDSC-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 286.348 g/mol
Sample ID 69063
Solvent DMSO-D6