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{[alpha-methyl-3,4-(methylenedioxy)phenethylidene]dithio}diacetic acid

View entire compound with spectra: 3 NMR, and 1 FTIR

{[alpha-methyl-3,4-(methylenedioxy)phenethylidene]dithio}diacetic acid
SpectraBase Compound ID 8DUg0j1BKNW
InChI InChI=1S/C14H16O6S2/c1-14(21-6-12(15)16,22-7-13(17)18)5-9-2-3-10-11(4-9)20-8-19-10/h2-4H,5-8H2,1H3,(H,15,16)(H,17,18)
InChIKey YITCOZZXSTYTIW-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C14H16O6S2
Exact Mass 344.038831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NkRjBxQgxc
Name {[alpha-METHYL-3,4-(METHYLENEDIOXY)PHENETHYLIDENE]DITHIO}DIACETIC ACID
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6S2
InChI InChI=1S/C14H16O6S2/c1-14(21-6-12(15)16,22-7-13(17)18)5-9-2-3-10-11(4-9)20-8-19-10/h2-4H,5-8H2,1H3,(H,15,16)(H,17,18)
InChIKey YITCOZZXSTYTIW-UHFFFAOYSA-N
Melting Point 150C
Molecular Weight 344.41
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, //A-METHYL-3,4-/METHYLENEDIOXY/PHENETHYLIDENE/DITHIO/DI-,