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GCTWXOUPNXBGEL-XWHBCJBBSA-N

View entire compound with spectra: 1 NMR

GCTWXOUPNXBGEL-XWHBCJBBSA-N
SpectraBase Compound ID BfEclVGpgkg
InChI InChI=1S/C17H18F3N4.BF4/c1-23-15-16(17(18,19)20)11-5-4-9(7-11)13(16)12-8-2-3-10(6-8)14(12)24(15)22-21-23;2-1(3,4)5/h2-5,8-14H,6-7H2,1H3;/q+1;-1/t8-,9-,10+,11+,12-,13-,14-,16+;/m1./s1
InChIKey GCTWXOUPNXBGEL-XWHBCJBBSA-N
Mol Weight 422.16 g/mol
Molecular Formula C17H18BF7N4
Exact Mass 422.151274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17qB5juZphu
Name GCTWXOUPNXBGEL-XWHBCJBBSA-N
Compound Number 7D,ME,CP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18BF7N4
InChI InChI=1S/C17H18F3N4.BF4/c1-23-15-16(17(18,19)20)11-5-4-9(7-11)13(16)12-8-2-3-10(6-8)14(12)24(15)22-21-23;2-1(3,4)5/h2-5,8-14H,6-7H2,1H3;/q+1;-1/t8-,9-,10+,11+,12-,13-,14-,16+;/m1./s1
InChIKey GCTWXOUPNXBGEL-XWHBCJBBSA-N
Literature Reference Author G.BERIONNI,M.BRANCA,B.PEGOT,J.MARROT,E.KIZILIAN,R.GOUMONT
Literature Reference Citation EUR.J.ORG.CHEM.,2011,5104(2011)
Literature Reference DOI 10.1002/ejoc.201100595
Molecular Weight 422.156 g/mol
Solvent CD3CN
Source File Reference UWBT21212