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(3-rac,5R)-1-(tert-Butylcarbonyl)-3-(thioethoxycarbonyl)-2-pyrrolidinone-5-carboxylic acid methyl ester
SpectraBase Compound ID 5bqND3mmrjy
InChI InChI=1S/C14H21NO6S/c1-6-22-12(18)8-7-9(11(17)20-5)15(10(8)16)13(19)21-14(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKey XZKFAZQXOYRMHW-VEDVMXKPSA-N
Mol Weight 331.38 g/mol
Molecular Formula C14H21NO6S
Exact Mass 331.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ymVvTKWo0N
Name (3-rac,5R)-1-(tert-Butylcarbonyl)-3-(thioethoxycarbonyl)-2-pyrrolidinone-5-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO6S
InChI InChI=1S/C14H21NO6S/c1-6-22-12(18)8-7-9(11(17)20-5)15(10(8)16)13(19)21-14(2,3)4/h8-9H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKey XZKFAZQXOYRMHW-VEDVMXKPSA-N
Molecular Weight 331.383 g/mol
SMILES C1(N(C(C[C@]1(C(=O)SCC)[H])C(=O)OC)C(OC(C)(C)C)=O)=O
SPLASH splash10-0a4l-9710000000-06309ebbc86553cd5c92
Source of Spectrum QE-7-4818-67
Synonyms (R)-4-Ethylsulfanylcarbonyl-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
Wiley ID 846097