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OFTGMCIYAKYLPA-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

OFTGMCIYAKYLPA-UHFFFAOYSA-N
SpectraBase Compound ID HM5vlvJUIIO
InChI InChI=1S/C27H22F3N3O/c1-3-21-17(2)32-33-25(21)31-23-15-14-20(27(28,29)30)16-22(23)26(33,19-12-8-5-9-13-19)24(34)18-10-6-4-7-11-18/h4-16,31H,3H2,1-2H3
InChIKey OFTGMCIYAKYLPA-UHFFFAOYSA-N
Mol Weight 461.49 g/mol
Molecular Formula C27H22F3N3O
Exact Mass 461.171497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8BN65WCjxj
Name OFTGMCIYAKYLPA-UHFFFAOYSA-N
Compound Number 829
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22F3N3O
InChI InChI=1S/C27H22F3N3O/c1-3-21-17(2)32-33-25(21)31-23-15-14-20(27(28,29)30)16-22(23)26(33,19-12-8-5-9-13-19)24(34)18-10-6-4-7-11-18/h4-16,31H,3H2,1-2H3
InChIKey OFTGMCIYAKYLPA-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 461.486 g/mol
Solvent DMSO-D6
Source File Reference UWVP2222