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[(4-acetyl-o-phenylene)dithio]diacetic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

[(4-acetyl-o-phenylene)dithio]diacetic acid
SpectraBase Compound ID 3x7Lc3ET9WC
InChI InChI=1S/C12H12O5S2/c1-7(13)8-2-3-9(18-5-11(14)15)10(4-8)19-6-12(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKey SHZSIYZRSLJWMO-UHFFFAOYSA-N
Mol Weight 300.34 g/mol
Molecular Formula C12H12O5S2
Exact Mass 300.012616 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IyCmguaj5KA
Name 2,2'-[(4-ACETYL-o-PHENYLENE)DITHIO]DIACETIC ACID
Source of Sample N. Cagnoli, Perugia University, Perugia, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5S2
InChI InChI=1S/C12H12O5S2/c1-7(13)8-2-3-9(18-5-11(14)15)10(4-8)19-6-12(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKey SHZSIYZRSLJWMO-UHFFFAOYSA-N
Melting Point 176-177C
Molecular Weight 300.36
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, 2,2'-/4-ACETYLOPHENYLENEDITHIO/DI-,