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2,5-Piperazinedione, 1,4-dimethyl-3-[[4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-6-thioxo-, (S)-
SpectraBase Compound ID 4JlSMp2ivy6
InChI InChI=1S/C18H22N2O3S/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-15-16(21)20(4)18(24)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKey SQAHNUAABSGLKN-HNNXBMFYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C18H22N2O3S
Exact Mass 346.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqMcTFIYEjY
Name 2,5-Piperazinedione, 1,4-dimethyl-3-[[4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-6-thioxo-, (S)-
CAS Registry Number 105637-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3S
InChI InChI=1S/C18H22N2O3S/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-15-16(21)20(4)18(24)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKey SQAHNUAABSGLKN-HNNXBMFYSA-N
Molecular Weight 346.445 g/mol
SMILES C1(N(C([C@@](N(C1=O)C)(Cc1ccc(cc1)OCC=C(C)C)[H])=O)C)=S
SPLASH splash10-0a4i-1910000000-8988a30f6b8d025cdf56
Source of Spectrum KC-1987-2101-2
Synonyms (-)-Silvathione (3S)-1,4-dimethyl-3-{4-[(3-methyl-2-butenyl)oxy]benzyl}-6-thioxo-2,5-piperazinedione Silvathion
Wiley ID 1339171