For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOIC-ACID
SpectraBase Compound ID KqAAyFz8Zi9
InChI InChI=1S/C21H20FN7O5/c1-12-8-18(28-19(26-12)13(10-23)11-25-28)24-7-3-2-4-17(21(31)32)27-20(30)15-6-5-14(29(33)34)9-16(15)22/h5-6,8-9,11,17,24H,2-4,7H2,1H3,(H,27,30)(H,31,32)/t17-/m0/s1
InChIKey RSRORSYFRLGMOA-KRWDZBQOSA-N
Mol Weight 469.43 g/mol
Molecular Formula C21H20FN7O5
Exact Mass 469.150995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9rz4bZnz2oe
Name (S)-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20FN7O5
InChI InChI=1S/C21H20FN7O5/c1-12-8-18(28-19(26-12)13(10-23)11-25-28)24-7-3-2-4-17(21(31)32)27-20(30)15-6-5-14(29(33)34)9-16(15)22/h5-6,8-9,11,17,24H,2-4,7H2,1H3,(H,27,30)(H,31,32)/t17-/m0/s1
InChIKey RSRORSYFRLGMOA-KRWDZBQOSA-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
Molecular Weight 469.432 g/mol
Sample ID 1849
Solvent DMSO-D6