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3-[(4-[[BIS-(ETHYLTHIO)-METHYLENE]-SULFAMOYL]-PHENYL]-AMINO]-PROPANOIC-ACID
SpectraBase Compound ID ByAm2H80zMO
InChI InChI=1S/C14H20N2O4S3/c1-3-21-14(22-4-2)16-23(19,20)12-7-5-11(6-8-12)15-10-9-13(17)18/h5-8,15H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKey VKWSCTQFWIDCAN-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C14H20N2O4S3
Exact Mass 376.058521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LviZbe5Bkoz
Name 3-[(4-[[BIS-(ETHYLTHIO)-METHYLENE]-SULFAMOYL]-PHENYL]-AMINO]-PROPANOIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O4S3
InChI InChI=1S/C14H20N2O4S3/c1-3-21-14(22-4-2)16-23(19,20)12-7-5-11(6-8-12)15-10-9-13(17)18/h5-8,15H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKey VKWSCTQFWIDCAN-UHFFFAOYSA-N
Literature Reference Author K.RUTKAUSKAS,A.ZUBRIENE,I.TUMOSIENE,K.KANTMINIENE,M.KAZEMEKA ITE,A.SMIRNOV,J.KAZO
Literature Reference Citation MOLECULES,19,17356(2014)
Literature Reference DOI 10.3390/molecules191117356
Molecular Weight 376.504 g/mol
Solvent DMSO-D6
Source File Reference UWLU81516