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1,1'-[6-[3-(TRIFLUOROMETHYL)-PHENOXY]-1,3,5-TRIAZINE-2,4-DIYL]-BIS-4-PIPERIDINEMETHANOL
SpectraBase Compound ID BBqkpYQDxbM
InChI InChI=1S/C22H28F3N5O3/c23-22(24,25)17-2-1-3-18(12-17)33-21-27-19(29-8-4-15(13-31)5-9-29)26-20(28-21)30-10-6-16(14-32)7-11-30/h1-3,12,15-16,31-32H,4-11,13-14H2
InChIKey JTNVBYHYFAYCLF-UHFFFAOYSA-N
Mol Weight 467.49 g/mol
Molecular Formula C22H28F3N5O3
Exact Mass 467.214424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjG7x4bIcNT
Name 1,1'-[6-[3-(TRIFLUOROMETHYL)-PHENOXY]-1,3,5-TRIAZINE-2,4-DIYL]-BIS-4-PIPERIDINEMETHANOL
Compound Number 5KPP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28F3N5O3
InChI InChI=1S/C22H28F3N5O3/c23-22(24,25)17-2-1-3-18(12-17)33-21-27-19(29-8-4-15(13-31)5-9-29)26-20(28-21)30-10-6-16(14-32)7-11-30/h1-3,12,15-16,31-32H,4-11,13-14H2
InChIKey JTNVBYHYFAYCLF-UHFFFAOYSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,H.AKI,N.OTA,H.FUJII,A.YUZURIHA,S.SANEYOSHI ,A.TANAKA,A.KOGA,J.Z
Literature Reference Citation CHEM.PHARM.BULL.,63,935(2015)
Literature Reference DOI 10.1248/cpb.c15-00309
Molecular Weight 467.491 g/mol
Solvent CDCl3
Source File Reference UWPA10159