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

*Links on SpectraBase are not permalinks.

diethyl 2-[3-(9H-purin-6-ylsulfanyl)propyl]malonate

View entire compound with spectra: 2 NMR

diethyl 2-[3-(9H-purin-6-ylsulfanyl)propyl]malonate
SpectraBase Compound ID FlpH65dRWJF
InChI InChI=1S/C15H20N4O4S/c1-3-22-14(20)10(15(21)23-4-2)6-5-7-24-13-11-12(17-8-16-11)18-9-19-13/h8-10H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKey VNLKMTCRYMYXSR-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C15H20N4O4S
Exact Mass 352.120526 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 7EYCRJKZmKO
Name Diethyl 2-[3-(9H-purin-6-ylsulfanyl)propyl]malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.120526310 u
Formula C15H20N4O4S
InChI InChI=1S/C15H20N4O4S/c1-3-22-14(20)10(15(21)23-4-2)6-5-7-24-13-11-12(17-8-16-11)18-9-19-13/h8-10H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKey VNLKMTCRYMYXSR-UHFFFAOYSA-N
Molecular Weight 352.409 g/mol
SMILES N1C=NC2=C1N=CN=C2SCCCC(C(=O)OCC)C(=O)OCC