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5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLEN]-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE

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5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLEN]-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
SpectraBase Compound ID IXf24nn7rvg
InChI InChI=1S/C16H15N3O2S2/c1-3-21-16(20)14(13-9-19(2)18-23-13)15-17-12(10-22-15)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b14-13+
InChIKey VOMXXOOOPWLHCG-BUHFOSPRSA-N
Mol Weight 345.44 g/mol
Molecular Formula C16H15N3O2S2
Exact Mass 345.060569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIYDxx72beK
Name 5-[(ETHOXYCARBONYL)-(4-PHENYLTHIAZOL-2-YL)-METHYLEN]-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
Compound Number 13
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H15N3O2S2/c1-3-21-16(20)14(13-9-19(2)18-23-13)15-17-12(10-22-15)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b14-13+
InChIKey VOMXXOOOPWLHCG-BUHFOSPRSA-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