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L-3-(tert-BUTYLDITHIO)ALANINE
SpectraBase Compound ID GbVpEovZzJZ
InChI InChI=1S/2C7H15NO2S2.2Na.2H2O/c2*1-7(2,3)12-11-4-5(8)6(9)10;;;;/h2*5H,4,8H2,1-3H3,(H,9,10);;;2*1H2/q;;2*+1;;/p-2/i/hD5
InChIKey RRHXVZDQTGZGPL-NSPFYZSMSA-L
Mol Weight 503.668 g/mol
Molecular Formula C14H272H5N2Na2O6S4
Exact Mass 503.125244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98xhe1Xf91k
Name L-3-(tert-BUTYLDITHIO)ALANINE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 30044-51-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H15NO2S2
InChI InChI=1S/2C7H15NO2S2.2Na.2H2O/c2*1-7(2,3)12-11-4-5(8)6(9)10;;;;/h2*5H,4,8H2,1-3H3,(H,9,10);;;2*1H2/q;;2*+1;;/p-2/i/hD5
InChIKey RRHXVZDQTGZGPL-NSPFYZSMSA-L
Melting Point 190C (dec.)
Molecular Weight 209.33
Solvent Deuterium oxide; Reference=TSP Spectrometer= Bruker AC-300
Synonyms ALANINE, 3-/tert-BUTYLDITHIO/-, L-,