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2,6-DI-TERT.-BUTYL-4-[[(5-(3-FLUOROPHENYLAMINO)-1,3,4-THIADIAZOL-2-YL)-METHYLTHIO]-METHYL]-PHENOL

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2,6-DI-TERT.-BUTYL-4-[[(5-(3-FLUOROPHENYLAMINO)-1,3,4-THIADIAZOL-2-YL)-METHYLTHIO]-METHYL]-PHENOL
SpectraBase Compound ID LrrlMkzN48N
InChI InChI=1S/C24H30FN3OS2/c1-23(2,3)18-10-15(11-19(21(18)29)24(4,5)6)13-30-14-20-27-28-22(31-20)26-17-9-7-8-16(25)12-17/h7-12,29H,13-14H2,1-6H3,(H,26,28)
InChIKey FMJPOWUIVUXRTD-UHFFFAOYSA-N
Mol Weight 459.64 g/mol
Molecular Formula C24H30FN3OS2
Exact Mass 459.181433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vINZeCLxpn
Name 2,6-DI-TERT.-BUTYL-4-[[(5-(3-FLUOROPHENYLAMINO)-1,3,4-THIADIAZOL-2-YL)-METHYLTHIO]-METHYL]-PHENOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30FN3OS2
InChI InChI=1S/C24H30FN3OS2/c1-23(2,3)18-10-15(11-19(21(18)29)24(4,5)6)13-30-14-20-27-28-22(31-20)26-17-9-7-8-16(25)12-17/h7-12,29H,13-14H2,1-6H3,(H,26,28)
InChIKey FMJPOWUIVUXRTD-UHFFFAOYSA-N
Literature Reference Author W.A.YEHYE,N.A.RAHMAN,A.A.ALHADI,H.KHALEDI,S.W.NG,A.ARIFFIN
Literature Reference Citation MOLECULES,17,7645(2012)
Literature Reference DOI 10.3390/molecules17077645
Molecular Weight 459.640 g/mol
Sample ID 1006
Solvent CDCl3