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

*Links on SpectraBase are not permalinks.

(2S,8S)-2-(2-BROMOACETOXYMETHYL)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM

View entire compound with spectra: 1 NMR

(2S,8S)-2-(2-BROMOACETOXYMETHYL)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
SpectraBase Compound ID 4q2dclx0VA4
InChI InChI=1S/C22H24BrN3O4.ClH/c23-12-20(27)29-13-18-7-9-26-10-8-19(25-22(26)24-18)14-30-21(28)17-6-5-15-3-1-2-4-16(15)11-17;/h1-6,11,18-19H,7-10,12-14H2,(H,24,25);1H/t18-,19-;/m0./s1
InChIKey VGTIOFPPJMFBGA-HLRBRJAUSA-N
Mol Weight 510.82 g/mol
Molecular Formula C22H25BrClN3O4
Exact Mass 509.071697 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 BMZpLz04LUQ
Name (2S,8S)-2-(2-BROMOACETOXYMETHYL)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PYRIMIDIN-1-IUM
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25BrClN3O4
InChI InChI=1S/C22H24BrN3O4.ClH/c23-12-20(27)29-13-18-7-9-26-10-8-19(25-22(26)24-18)14-30-21(28)17-6-5-15-3-1-2-4-16(15)11-17;/h1-6,11,18-19H,7-10,12-14H2,(H,24,25);1H/t18-,19-;/m0./s1
InChIKey VGTIOFPPJMFBGA-HLRBRJAUSA-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 510.815 g/mol
Sample ID 41725
Solvent CDCl3