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1,1-DIOXO-6-(4-METHYL-PHENACYL)-[1,4,5]-THIADIAZINAN-3-ONE
SpectraBase Compound ID 3H3Pev7TkoF
InChI InChI=1S/C12H14N2O4S/c1-8-2-4-9(5-3-8)10(15)6-12-14-13-11(16)7-19(12,17)18/h2-5,12,14H,6-7H2,1H3,(H,13,16)
InChIKey RIHRTKQBUGHYRW-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C12H14N2O4S
Exact Mass 282.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHTHeUdMKuX
Name 1,1-DIOXO-6-(4-METHYL-PHENACYL)-[1,4,5]-THIADIAZINAN-3-ONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N2O4S
InChI InChI=1S/C12H14N2O4S/c1-8-2-4-9(5-3-8)10(15)6-12-14-13-11(16)7-19(12,17)18/h2-5,12,14H,6-7H2,1H3,(H,13,16)
InChIKey RIHRTKQBUGHYRW-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,A.V.N.MOHAN,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,56,815(2008)
Literature Reference DOI 10.1248/cpb.56.815
Molecular Weight 282.314 g/mol
Sample ID 1776
Solvent DMSO-D6