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Thioacetic acid S-[4-methyl-1-(3-methyl-but-2-enoyl)-pyrrolidin-3-ylmethyl]ester
SpectraBase Compound ID 2hwxUmjjrhI
InChI InChI=1S/C13H21NO2S/c1-9(2)5-13(16)14-6-10(3)12(7-14)8-17-11(4)15/h5,10,12H,6-8H2,1-4H3
InChIKey DIESBPYRYGAWKT-UHFFFAOYSA-N
Mol Weight 255.38 g/mol
Molecular Formula C13H21NO2S
Exact Mass 255.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xa8CYL65mP
Name Thioacetic acid S-[4-methyl-1-(3-methyl-but-2-enoyl)-pyrrolidin-3-ylmethyl]ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO2S
InChI InChI=1S/C13H21NO2S/c1-9(2)5-13(16)14-6-10(3)12(7-14)8-17-11(4)15/h5,10,12H,6-8H2,1-4H3
InChIKey DIESBPYRYGAWKT-UHFFFAOYSA-N
Molecular Weight 255.376 g/mol
SMILES C(N1CC(CSC(=O)C)C(C1)C)(C=C(C)C)=O
SPLASH splash10-001i-9320000000-a540b478e9b442590f16
Source of Spectrum J-64-2352-24
Synonyms Ethanethioic acid S-[[4-methyl-1-(3-methyl-1-oxobut-2-enyl)-3-pyrrolidinyl]methyl]ester Ethanethioic acid S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl]ester N-(3,3-Dimethylacryloyl)-4-methyl-3-[(acetylthio)methyl]-2-pyrrolidone S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl]ethanethioate S-{[4-methyl-1-(3-methyl-2-butenoyl)-3-pyrrolidinyl]methyl} ethanethioate Ethanethioic acid S-[[4-methyl-1-(3-methyl-1-oxobut-2-enyl)-3-pyrrolidinyl]methyl] ester S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ethanethioate
Wiley ID 1529781