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N-Allyl-3-(1-methylethyl)-4-[(acetylthio)methyl]-2-pyrrolidone
SpectraBase Compound ID JZOQZJIx7MR
InChI InChI=1S/C13H21NO2S/c1-5-6-14-7-11(8-17-10(4)15)12(9(2)3)13(14)16/h5,9,11-12H,1,6-8H2,2-4H3
InChIKey KXWQSGCYJQAFOJ-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 JTgoEezqMXE
Name N-Allyl-3-(1-methylethyl)-4-[(acetylthio)methyl]-2-pyrrolidone
Alternate Name(s) cis-N-Allyl-3-(1-methylethyl)-4-[(acetylthio)methyl]-2-pyrrolidone S-[(1-allyl-4-isopropyl-5-oxo-3-pyrrolidinyl)methyl]ethanethioate trans-N-Allyl-3-(1-methylethyl)-4-[(acetylthio)methyl]-2-pyrrolidone
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Formula C13H21NO2S
InChI InChI=1S/C13H21NO2S/c1-5-6-14-7-11(8-17-10(4)15)12(9(2)3)13(14)16/h5,9,11-12H,1,6-8H2,2-4H3
InChIKey KXWQSGCYJQAFOJ-UHFFFAOYSA-N
Molecular Weight 255.376 g/mol
SMILES C1(N(CC(C1C(C)C)CSC(=O)C)CC=C)=O
SPLASH splash10-00di-2930000000-0485809859d8288f2e8d
Source of Spectrum J-64-2352-23
Wiley ID 1529782