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2-Acetyl-6,7-dihydrothieno[2,3-b][1,4]thiazepin-5(4H)-thione
SpectraBase Compound ID 8xYEBKfWzQ6
InChI InChI=1S/C9H9NOS3/c1-5(11)7-4-6-9(14-7)13-3-2-8(12)10-6/h4H,2-3H2,1H3,(H,10,12)
InChIKey JMVYXNKFAKUOEU-UHFFFAOYSA-N
Mol Weight 243.36 g/mol
Molecular Formula C9H9NOS3
Exact Mass 242.984627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1duHkogmeSL
Name 2-Acetyl-6,7-dihydrothieno[2,3-b][1,4]thiazepin-5(4H)-thione
Alternate Name(s) 1-(5-thioxo-4,5,6,7-tetrahydrothieno[2,3-b][1,4]thiazepin-2-yl)ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C9H9NOS3
InChI InChI=1S/C9H9NOS3/c1-5(11)7-4-6-9(14-7)13-3-2-8(12)10-6/h4H,2-3H2,1H3,(H,10,12)
InChIKey JMVYXNKFAKUOEU-UHFFFAOYSA-N
Molecular Weight 243.357 g/mol
SMILES N1C(CCSc2c1cc(s2)C(=O)C)=S
SPLASH splash10-00di-9010000000-3b2bfb810786ff9df967
Source of Spectrum H1-38-1635-18
Wiley ID 756556