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(2S)-1-((2'R)-3'-Acetylthio-2'-methylpropanoyl)-2-(diethylaminomethyl)pyrrolidine
SpectraBase Compound ID DDBbA9qTzrV
InChI InChI=1S/C15H28N2O2S/c1-5-16(6-2)10-14-8-7-9-17(14)15(19)12(3)11-20-13(4)18/h12,14H,5-11H2,1-4H3/t12-,14-/m0/s1
InChIKey MLSMEENYEDSPMJ-JSGCOSHPSA-N
Mol Weight 300.46 g/mol
Molecular Formula C15H28N2O2S
Exact Mass 300.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD2TX3EaCrv
Name (2S)-1-((2'R)-3'-Acetylthio-2'-methylpropanoyl)-2-(diethylaminomethyl)pyrrolidine
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28N2O2S
InChI InChI=1S/C15H28N2O2S/c1-5-16(6-2)10-14-8-7-9-17(14)15(19)12(3)11-20-13(4)18/h12,14H,5-11H2,1-4H3/t12-,14-/m0/s1
InChIKey MLSMEENYEDSPMJ-JSGCOSHPSA-N
Molecular Weight 300.461 g/mol
SMILES C(N1[C@](CN(CC)CC)(CCC1)[H])([C@](CSC(=O)C)(C)[H])=O
SPLASH splash10-000i-9000000000-7f4d7ba9bc2c727f5b96
Source of Spectrum KD-16-1219-3
Synonyms S-((2R)-3-{(2S)-2-[(diethylamino)methyl]pyrrolidinyl}-2-methyl-3-oxopropyl) ethanethioate
Wiley ID 1637581