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N-(1-Carboethoxyethanesulfonyl)-DL-alanine
SpectraBase Compound ID bkbGHInwoY
InChI InChI=1S/C8H15NO6S/c1-4-15-8(12)6(3)16(13,14)9-5(2)7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKey SHOUMDUPNFUADF-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C8H15NO6S
Exact Mass 253.062008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kEBb52hMI8
Name N-(1-Carboethoxyethanesulfonyl)-DL-alanine
Comments Less than 3 mono-isotopic peaks
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Formula C8H15NO6S
InChI InChI=1S/C8H15NO6S/c1-4-15-8(12)6(3)16(13,14)9-5(2)7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKey SHOUMDUPNFUADF-UHFFFAOYSA-N
Molecular Weight 253.269 g/mol
SMILES N(S(C(C(=O)OCC)C)(=O)=O)C(C(=O)O)C
SPLASH splash10-0a4i-0090000000-c1149c49fa481de73278
Source of Spectrum F-52-5315-27
Synonyms N-[(2-ethoxy-1-methyl-2-oxoethyl)sulfonyl]alanine
Wiley ID 796343