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

*Links on SpectraBase are not permalinks.

3-(4-Hydroxy-1-methyl-2-sulfido-1-butenyl)-7-methyl-3,4-dihydro-pyrimido(4,5-D)pyrimidine anion

View entire compound with spectra: 1 NMR

3-(4-Hydroxy-1-methyl-2-sulfido-1-butenyl)-7-methyl-3,4-dihydro-pyrimido(4,5-D)pyrimidine anion
SpectraBase Compound ID EddBuL9it96
InChI InChI=1S/C12H16N4OS/c1-8(11(18)3-4-17)16-6-10-5-13-9(2)15-12(10)14-7-16/h5,7,17-18H,3-4,6H2,1-2H3/p-1/b11-8-
InChIKey MDKDCWFXWRLQQN-FLIBITNWSA-M
Mol Weight 263.34 g/mol
Molecular Formula C12H15N4OS
Exact Mass 263.096657 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 F2PXRwW0kdz
Name 3-(4-Hydroxy-1-methyl-2-sulfido-1-butenyl)-7-methyl-3,4-dihydro-pyrimido(4,5-D)pyrimidine anion
Comments H2O/CD3OD 6/4 AS SOLVENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15N4OS
InChI InChI=1S/C12H16N4OS/c1-8(11(18)3-4-17)16-6-10-5-13-9(2)15-12(10)14-7-16/h5,7,17-18H,3-4,6H2,1-2H3/p-1/b11-8-
InChIKey MDKDCWFXWRLQQN-FLIBITNWSA-M
Instrument Name Bruker AM-200
Literature Reference J-M.E. Chahine, J. Chem. Soc. Perkin II 505 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture