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DL-4-(methylsulfonyl)-2-(2,4,6-trimethylbenzamido)butyric acid
SpectraBase Compound ID 8XQvqVuLUxI
InChI InChI=1S/C15H21NO5S/c1-9-7-10(2)13(11(3)8-9)14(17)16-12(15(18)19)5-6-22(4,20)21/h7-8,12H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKey JIFAURILIGKPSS-UHFFFAOYSA-N
Mol Weight 327.4 g/mol
Molecular Formula C15H21NO5S
Exact Mass 327.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5pmsj6kBf6
Name DL-4-(METHYLSULFONYL)-2-(2,4,6-TRIMETHYLBENZAMIDO)BUTYRIC ACID
Source of Sample W. Steglich, University of Bonn, Bonn, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO5S
InChI InChI=1S/C15H21NO5S/c1-9-7-10(2)13(11(3)8-9)14(17)16-12(15(18)19)5-6-22(4,20)21/h7-8,12H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKey JIFAURILIGKPSS-UHFFFAOYSA-N
Melting Point 194C
Molecular Weight 327.40
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 4-/METHYLSULFONYL/- 2-/2,4,6-TRIMETHYLBENZAMIDO/-, DL-,