2-[(METHYLTHIO)-THIOCARBONYLAMINO]-BENZOIC-ACID

SpectraBase Compound ID	AvqAI5ShaX5
InChI	InChI=1S/C9H9NO2S2/c1-14-9(13)10-7-5-3-2-4-6(7)8(11)12/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKey	BXIIMLDQHPYIDN-UHFFFAOYSA-N Google Search
Mol Weight	227.3 g/mol
Molecular Formula	C9H9NO2S2
Exact Mass	227.007471 g/mol

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SpectraBase Spectrum ID	3YIqj1iNp2B
Name	2-[(METHYLTHIO)-THIOCARBONYLAMINO]-BENZOIC-ACID
Compound Number	4I
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C9H9NO2S2
InChI	InChI=1S/C9H9NO2S2/c1-14-9(13)10-7-5-3-2-4-6(7)8(11)12/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKey	BXIIMLDQHPYIDN-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	227.296 g/mol
Sample ID	69066
Solvent	DMSO-D6