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1-PHENYL-3H-1,2,4-THIA(SIV)DIAZINE-3,5(6H)-DIONE, 1-OXIDE
SpectraBase Compound ID DiSR5g5unAt
InChI InChI=1S/C9H8N2O3S/c12-8-6-15(14,11-9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKey ZKAKWBLOXFINKC-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C9H8N2O3S
Exact Mass 224.025563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5x3lpXHDAT2
Name 1-PHENYL-3H-1,2,4-THIA(SIV)DIAZINE-3,5(6H)-DIONE, 1-OXIDE
Source of Sample K. Schaffner-Sabba, H. Tomaselli J. Org. Chem. 42, 952(1977)
CAS Registry Number 61177-76-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3S
InChI InChI=1S/C9H8N2O3S/c12-8-6-15(14,11-9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKey ZKAKWBLOXFINKC-UHFFFAOYSA-N
Molecular Weight 224.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms THIA/S