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(2S)-1-[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid
SpectraBase Compound ID 5Vxodoq9xcV
InChI InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9-/m0/s1
InChIKey ZNQRGUYIKSRYCI-CBAPKCEASA-N
Mol Weight 259.32 g/mol
Molecular Formula C11H17NO4S
Exact Mass 259.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rYVDb3Fxoa
Name (2S)-1-[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid
Alternate Name(s) (2S)-1-[(2R)-3-(acetylthio)-2-methyl-propanoyl]proline (2S)-1-[(2R)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2R)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
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Formula C11H17NO4S
InChI InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9-/m0/s1
InChIKey ZNQRGUYIKSRYCI-CBAPKCEASA-N
Molecular Weight 259.320 g/mol
SMILES OC([C@]1(N(C([C@](CSC(=O)C)(C)[H])=O)CCC1)[H])=O
SPLASH splash10-00di-9730000000-b84fe6d17f7b3f1bd6b6
Source of Spectrum KD-16-1219-3
Wiley ID 1637584