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3-Ethyl-1,3-thiazepan-2,4-dione
SpectraBase Compound ID IBd7FF2Si7u
InChI InChI=1S/C7H11NO2S/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3
InChIKey YBCCVLMDTFNUEZ-UHFFFAOYSA-N
Mol Weight 173.23 g/mol
Molecular Formula C7H11NO2S
Exact Mass 173.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPfK00s8ojD
Name 3-Ethyl-1,3-thiazepan-2,4-dione
Alternate Name(s) 3-ethyldihydro-1,3-thiazepine-2,4(3H,5H)-dione
CAS Registry Number 138696-41-0
Comments Less than 3 mono-isotopic peaks
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Formula C7H11NO2S
InChI InChI=1S/C7H11NO2S/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3
InChIKey YBCCVLMDTFNUEZ-UHFFFAOYSA-N
Molecular Weight 173.230 g/mol
SMILES C1(SCCCC(N1CC)=O)=O
SPLASH splash10-0udi-0900000000-42fa39ac7ee91f0a77d4
Source of Spectrum U-1992-343-11
Wiley ID 763993