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Cyanophosphatide-2
SpectraBase Compound ID 4q2ZbPTnpvd
InChI InChI=1S/C8H20N.C3H5NP/c1-5-9(6-2,7-3)8-4;1-2-5-3-4/h5-8H2,1-4H3;2H2,1H3/q+1;-1
InChIKey VOJJOSDHEJGUBB-UHFFFAOYSA-N
Mol Weight 216.31 g/mol
Molecular Formula C11H25N2P
Exact Mass 216.175536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhHcQXY6lTP
Name Cyanophosphatide-2
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.175535811 u
Formula C11H25N2P
InChI InChI=1S/C8H20N.C3H5NP/c1-5-9(6-2,7-3)8-4;1-2-5-3-4/h5-8H2,1-4H3;2H2,1H3/q+1;-1
InChIKey VOJJOSDHEJGUBB-UHFFFAOYSA-N
Molecular Weight 216.309 g/mol
SMILES C([N+](CC)(CC)CC)C.C(#N)[P-]CC