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2-[3-METHYL-3-(2-PHENYLETHYL)-THIOUREIDO]-BENZOIC-ACID

View entire compound with spectra: 1 NMR

2-[3-METHYL-3-(2-PHENYLETHYL)-THIOUREIDO]-BENZOIC-ACID
SpectraBase Compound ID JRZLtCtnDAQ
InChI InChI=1S/C17H18N2O2S/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKey XWHHXFLJMQCZEZ-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C17H18N2O2S
Exact Mass 314.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WQNAjJzgGL
Name 2-[3-METHYL-3-(2-PHENYLETHYL)-THIOUREIDO]-BENZOIC-ACID
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O2S
InChI InChI=1S/C17H18N2O2S/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKey XWHHXFLJMQCZEZ-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 314.402 g/mol
Sample ID 69065
Solvent DMSO-D6