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2-ACETYL-4-(4-METHYLPHENYL)-6H-1,3,4-THIADIAZIN-5-ONE

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2-ACETYL-4-(4-METHYLPHENYL)-6H-1,3,4-THIADIAZIN-5-ONE
SpectraBase Compound ID 922UtV5fDWm
InChI InChI=1S/C12H12N2O2S/c1-8-3-5-10(6-4-8)14-11(16)7-17-12(13-14)9(2)15/h3-6H,7H2,1-2H3
InChIKey ZQNRBSGMEUPTFZ-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Z4H8tGKScf
Name 2-ACETYL-4-(4-METHYLPHENYL)-6H-1,3,4-THIADIAZIN-5-ONE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-8-3-5-10(6-4-8)14-11(16)7-17-12(13-14)9(2)15/h3-6H,7H2,1-2H3
InChIKey ZQNRBSGMEUPTFZ-UHFFFAOYSA-N
Literature Reference Author B.A.THAHER,H.H.OTTO
Literature Reference Citation MH.CHEM.,133,1011(2002)
Literature Reference DOI 10.1007/s007060200070
Molecular Weight 248.299 g/mol
Solvent CDCl3
Source File Reference UWKP4491