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3,9-DIOXO-1-THIA-4,8-DIAZACYCLODECANE
SpectraBase Compound ID 8n6DNCQgXwr
InChI InChI=1S/C7H12N2O2S/c10-6-4-12-5-7(11)9-3-1-2-8-6/h1-5H2,(H,8,10)(H,9,11)
InChIKey GSSMKWOGPKWHRJ-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C7H12N2O2S
Exact Mass 188.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sxyP1zAib7
Name 3,9-DIOXO-1-THIA-4,8-DIAZACYCLODECANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12N2O2S
InChI InChI=1S/C7H12N2O2S/c10-6-4-12-5-7(11)9-3-1-2-8-6/h1-5H2,(H,8,10)(H,9,11)
InChIKey GSSMKWOGPKWHRJ-UHFFFAOYSA-N
Literature Reference Author T.M.BARCLAY,A.MCAULEY,S.SUBRAMANIAN
Literature Reference Citation CAN.J.CHEM.,85,506(2007)
Literature Reference DOI 10.1139/v07-066
Molecular Weight 188.244 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46028