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

*Links on SpectraBase are not permalinks.

(2R,8R)-8-HYDROXYMETHYL-2-[[(NAPHTHALEN-2-YLMETHYL)-CARBAMOYL]-METHYLSULFANYLMETHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM

View entire compound with spectra: 1 NMR

(2R,8R)-8-HYDROXYMETHYL-2-[[(NAPHTHALEN-2-YLMETHYL)-CARBAMOYL]-METHYLSULFANYLMETHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 4NyUipNsa78
InChI InChI=1S/C22H28N4O2S.ClH/c27-13-19-7-9-26-10-8-20(25-22(26)24-19)14-29-15-21(28)23-12-16-5-6-17-3-1-2-4-18(17)11-16;/h1-6,11,19-20,27H,7-10,12-15H2,(H,23,28)(H,24,25);1H/t19-,20-;/m1./s1
InChIKey DPRHRYWXFKTIHW-GZJHNZOKSA-N
Mol Weight 449.01 g/mol
Molecular Formula C22H29ClN4O2S
Exact Mass 448.169975 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 mKPatxUGMt
Name (2R,8R)-8-HYDROXYMETHYL-2-[[(NAPHTHALEN-2-YLMETHYL)-CARBAMOYL]-METHYLSULFANYLMETHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29ClN4O2S
InChI InChI=1S/C22H28N4O2S.ClH/c27-13-19-7-9-26-10-8-20(25-22(26)24-19)14-29-15-21(28)23-12-16-5-6-17-3-1-2-4-18(17)11-16;/h1-6,11,19-20,27H,7-10,12-15H2,(H,23,28)(H,24,25);1H/t19-,20-;/m1./s1
InChIKey DPRHRYWXFKTIHW-GZJHNZOKSA-N
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 449.011 g/mol
Sample ID 41745
Solvent ACETONE-D6