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4-PHENYL-5-(3',4'-METHYLENEDIOXYPHENYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE

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4-PHENYL-5-(3',4'-METHYLENEDIOXYPHENYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID BnIa6aBLjTG
InChI InChI=1S/C21H16N3O2S.ClH/c1-3-7-16(8-4-1)22-21-23-24(17-9-5-2-6-10-17)20(27-21)15-11-12-18-19(13-15)26-14-25-18;/h1-13H,14H2,(H,22,23);1H/q+1;/p-1
InChIKey ULGDAHJBNSCKFG-UHFFFAOYSA-M
Mol Weight 409.89 g/mol
Molecular Formula C21H16ClN3O2S
Exact Mass 409.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlsxcJjdtHx
Name 4-PHENYL-5-(3',4'-METHYLENEDIOXYPHENYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16ClN3O2S
InChI InChI=1S/C21H16N3O2S.ClH/c1-3-7-16(8-4-1)22-21-23-24(17-9-5-2-6-10-17)20(27-21)15-11-12-18-19(13-15)26-14-25-18;/h1-13H,14H2,(H,22,23);1H/q+1;/p-1
InChIKey ULGDAHJBNSCKFG-UHFFFAOYSA-M
Literature Reference Author C.M.D.REIS,J.ECHEVARRIA-LIMA,A.F.MIRANDA,A.ECHIVARRIA
Literature Reference Citation J.BRAZ.CHEM.SOC.,22,1505(2011)
Literature Reference DOI 10.1590/s0103-50532011000800014
Molecular Weight 409.890 g/mol
Source File Reference UWBT5688