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

*Links on SpectraBase are not permalinks.
N2-ISOBUTYRYLGUANINE;(1,7/1,9)-DIHYDRO-2-(ISOBUTYROYL)-AMINO-6H-PURIN-6-ONE;MIXTURE
SpectraBase Compound ID D5NvtkJnbF7
InChI InChI=1S/2C9H11N5O2/c2*1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h2*3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
InChIKey JVEIKZHPFAFSCC-UHFFFAOYSA-N
Mol Weight 442.44 g/mol
Molecular Formula C18H22N10O4
Exact Mass 442.182549 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 DCqsIO3EasB
Name N2-ISOBUTYRYLGUANINE;(1,7/1,9)-DIHYDRO-2-(ISOBUTYROYL)-AMINO-6H-PURIN-6-ONE;MIXTURE
Compound Number 2A+2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N10O4
InChI InChI=1S/2C9H11N5O2/c2*1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h2*3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
InChIKey JVEIKZHPFAFSCC-UHFFFAOYSA-N
Literature Reference Author L.YANG,J.LI,R.SIMIONESCU,H.YAN
Literature Reference Citation MAGN.RES.CHEM.,51,60(2013)
Literature Reference DOI 10.1002/mrc.3901
Molecular Weight 442.437 g/mol
Solvent CD2Cl2:DMSO-D6=1:1
Source File Reference UWIR12801