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D,L-1,3-dioxo-α-[2-(methylthio)ethyl]-2-isoindolineacetic acid

View entire compound with spectra: 5 NMR, 2 FTIR, and 2 MS (GC)

D,L-1,3-dioxo-α-[2-(methylthio)ethyl]-2-isoindolineacetic acid
SpectraBase Compound ID 1QfJnhLMWSK
InChI InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey VMTKJVHNTIEOCU-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pd42lbrTxo
Name L-1,3-DIOXO-alpha-[2-(METHYLTHIO)ETHYL]-2-ISOINDOLINEACETIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey VMTKJVHNTIEOCU-UHFFFAOYSA-N
Molecular Weight 279.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms METHIONINE, N-PHTHALOYL-, L-, 2-ISOINDOLINEACETIC ACID, 1,3-DIOXO- A-/2-/METHYLTHIO/ETHYL/-, L-,