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YUIWSODTKUNECF-KCIZGOJFSA-N

View entire compound with spectra: 1 NMR

YUIWSODTKUNECF-KCIZGOJFSA-N
SpectraBase Compound ID 5xwx5slCsTU
InChI InChI=1S/C18H22N5O2.BF4/c1-3-21-16-18(23(24)25)13-7-4-10(8-13)14(18)17(2)12-6-5-11(9-12)15(17)22(16)20-19-21;2-1(3,4)5/h4-7,10-15H,3,8-9H2,1-2H3;/q+1;-1/t10-,11+,12-,13+,14-,15-,17-,18+;/m1./s1
InChIKey YUIWSODTKUNECF-KCIZGOJFSA-N
Mol Weight 427.21 g/mol
Molecular Formula C18H22BF4N5O2
Exact Mass 427.180268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqEoLPfaVmr
Name YUIWSODTKUNECF-KCIZGOJFSA-N
Compound Number 7B,ET,CP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22BF4N5O2
InChI InChI=1S/C18H22N5O2.BF4/c1-3-21-16-18(23(24)25)13-7-4-10(8-13)14(18)17(2)12-6-5-11(9-12)15(17)22(16)20-19-21;2-1(3,4)5/h4-7,10-15H,3,8-9H2,1-2H3;/q+1;-1/t10-,11+,12-,13+,14-,15-,17-,18+;/m1./s1
InChIKey YUIWSODTKUNECF-KCIZGOJFSA-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 427.209 g/mol
Solvent CD3CN
Source File Reference UWBT21215