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(S)-METHYL-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOATE
SpectraBase Compound ID 15d2zWgpaGP
InChI InChI=1S/C22H22FN7O5/c1-13-9-19(29-20(27-13)14(11-24)12-26-29)25-8-4-3-5-18(22(32)35-2)28-21(31)16-7-6-15(30(33)34)10-17(16)23/h6-7,9-10,12,18,25H,3-5,8H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKey VJUSROKVMFGGRI-SFHVURJKSA-N
Mol Weight 483.46 g/mol
Molecular Formula C22H22FN7O5
Exact Mass 483.166645 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbYuLKkOu5G
Name (S)-METHYL-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22FN7O5
InChI InChI=1S/C22H22FN7O5/c1-13-9-19(29-20(27-13)14(11-24)12-26-29)25-8-4-3-5-18(22(32)35-2)28-21(31)16-7-6-15(30(33)34)10-17(16)23/h6-7,9-10,12,18,25H,3-5,8H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKey VJUSROKVMFGGRI-SFHVURJKSA-N
Literature Reference Author J.XU,H.LIU,Y.HE,R.DING,X.WANG,M.FENG,S.ZHANG,Y.CHEN,S.LI,M.Z HAO,Y.LI,C.QI,Y.DANG
Literature Reference Citation MOLECULES,17,3774(2012)
Literature Reference DOI 10.3390/molecules17043774
Solvent CDCl3
Source File Reference UWBT1848