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

*Links on SpectraBase are not permalinks.

(E)-N(9)-(4-Diethylphosphono)-2-buten-1-yl)adenine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-N(9)-(4-Diethylphosphono)-2-buten-1-yl)adenine
SpectraBase Compound ID 3lP4krW2Zww
InChI InChI=1S/C13H20N5O3P/c1-3-20-22(19,21-4-2)8-6-5-7-18-10-17-11-12(14)15-9-16-13(11)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,14,15,16)/b6-5+
InChIKey DYFQIOKQVSKIQV-AATRIKPKSA-N
Mol Weight 325.31 g/mol
Molecular Formula C13H20N5O3P
Exact Mass 325.130377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AtPFNLG3cIX
Name (E)-N(9)-(4-Diethylphosphono)-2-buten-1-yl)adenine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.130376519 u
Formula C13H20N5O3P
InChI InChI=1S/C13H20N5O3P/c1-3-20-22(19,21-4-2)8-6-5-7-18-10-17-11-12(14)15-9-16-13(11)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,14,15,16)/b6-5+
InChIKey DYFQIOKQVSKIQV-AATRIKPKSA-N
Molecular Weight 325.309 g/mol
SMILES C1=2N=CN(C2N=CN=C1N)C\C=C\CP(=O)(OCC)OCC