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5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE-2-THIOL
SpectraBase Compound ID 3AIAEVZOFVA
InChI InChI=1S/C8H5ClN2S2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKey NGMTZWFKSLNRMT-UHFFFAOYSA-N
Mol Weight 228.71 g/mol
Molecular Formula C8H5ClN2S2
Exact Mass 227.958268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9wn1Mw5KXE
Name 5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOLE-2-THIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5ClN2S2
InChI InChI=1S/C8H5ClN2S2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKey NGMTZWFKSLNRMT-UHFFFAOYSA-N
Literature Reference Author Z.CHEN,W.XU,K.LIU,S.YANG,H.FAN,P.S.BHADURY,D.Y.HU,Y.ZHANG
Literature Reference Citation MOLECULES,15,9046(2010)
Literature Reference DOI 10.3390/molecules15129046
Molecular Weight 228.714 g/mol
Sample ID 72753
Solvent DMSO-D6