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3-Phenyl-1,3-thiazepan-2,4-dione
SpectraBase Compound ID 388tVy3lgSW
InChI InChI=1S/C11H11NO2S/c13-10-7-4-8-15-11(14)12(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey GDBYSNNRJRCGLM-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYnHBpM0IlL
Name 3-Phenyl-1,3-thiazepan-2,4-dione
CAS Registry Number 138696-39-6
Comments Less than 3 mono-isotopic peaks
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Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c13-10-7-4-8-15-11(14)12(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey GDBYSNNRJRCGLM-UHFFFAOYSA-N
Molecular Weight 221.274 g/mol
SMILES C1(SCCCC(N1c1ccccc1)=O)=O
SPLASH splash10-014i-0900000000-3109077b3687b9bb2271
Source of Spectrum U-1992-343-11
Synonyms 3-phenyldihydro-1,3-thiazepine-2,4(3H,5H)-dione
Wiley ID 763995