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5-[ACETYL-(METHOXYCARBONYL)-METHYLENE]-4-tert-BUTYL-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE
SpectraBase Compound ID 6KI0QaZeAL5
InChI InChI=1S/C12H18N2O3S/c1-7(15)8(11(16)17-6)9-10(12(2,3)4)13-14(5)18-9/h1-6H3/b9-8-
InChIKey DZGKOUKLLYHXOV-HJWRWDBZSA-N
Mol Weight 270.35 g/mol
Molecular Formula C12H18N2O3S
Exact Mass 270.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSWp87VLgpE
Name 5-[ACETYL-(METHOXYCARBONYL)-METHYLENE]-4-tert-BUTYL-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE
Compound Number 19
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H18N2O3S/c1-7(15)8(11(16)17-6)9-10(12(2,3)4)13-14(5)18-9/h1-6H3/b9-8-
InChIKey DZGKOUKLLYHXOV-HJWRWDBZSA-N
Literature Reference G.LABBE,L.BASTIN,W.DEHAEN,S.TOPPET,P.DELBEKE,D.VLIEGHE,L.VANMEERVELT J.CHEM.SOC.PERKIN-1,2545(1994)
Solvent Dimethyl sulfoxide-d6