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2-[[(2-PHENYLETHYL)-THIO]-THIOCARBONYLAMINO]-BENZOIC-ACID
SpectraBase Compound ID 1jXFpMWnDAa
InChI InChI=1S/C16H15NO2S2/c18-15(19)13-8-4-5-9-14(13)17-16(20)21-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKey WOCHXBUGCYQZQS-UHFFFAOYSA-N
Mol Weight 317.42 g/mol
Molecular Formula C16H15NO2S2
Exact Mass 317.054421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59qSAvkVaC1
Name 2-[[(2-PHENYLETHYL)-THIO]-THIOCARBONYLAMINO]-BENZOIC-ACID
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15NO2S2
InChI InChI=1S/C16H15NO2S2/c18-15(19)13-8-4-5-9-14(13)17-16(20)21-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKey WOCHXBUGCYQZQS-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 317.421 g/mol
Sample ID 69069
Solvent DMSO-D6