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4-tert-BUTYL-5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLENE]-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE;ISOMER-A
SpectraBase Compound ID 2DjU6YKc74j
InChI InChI=1S/C20H23N3O2S2/c1-6-25-19(24)15(16-17(20(2,3)4)22-23(5)27-16)18-21-14(12-26-18)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/b16-15-
InChIKey GRIFXUCCMSSQSF-NXVVXOECSA-N
Mol Weight 401.54 g/mol
Molecular Formula C20H23N3O2S2
Exact Mass 401.123169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDpAEVWLi92
Name 4-tert-BUTYL-5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLENE]-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE;ISOMER-B
Compound Number 30
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H23N3O2S2/c1-6-25-19(24)15(16-17(20(2,3)4)22-23(5)27-16)18-21-14(12-26-18)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3/b16-15-
InChIKey GRIFXUCCMSSQSF-NXVVXOECSA-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 Chloroform-d