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2-[(E)-4-diethoxyphosphorylbut-2-enyl]isoindole-1,3-dione

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

2-[(E)-4-diethoxyphosphorylbut-2-enyl]isoindole-1,3-dione
SpectraBase Compound ID 3m40On3PAvD
InChI InChI=1S/C16H20NO5P/c1-3-21-23(20,22-4-2)12-8-7-11-17-15(18)13-9-5-6-10-14(13)16(17)19/h5-10H,3-4,11-12H2,1-2H3/b8-7+
InChIKey GMSAHCNQPRQKSU-BQYQJAHWSA-N
Mol Weight 337.31 g/mol
Molecular Formula C16H20NO5P
Exact Mass 337.10791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NZNRZ3ZdIg
Name 2-[(E)-4-Diethoxyphosphorylbut-2-enyl]isoindole-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 337.107909741 u
Formula C16H20NO5P
InChI InChI=1S/C16H20NO5P/c1-3-21-23(20,22-4-2)12-8-7-11-17-15(18)13-9-5-6-10-14(13)16(17)19/h5-10H,3-4,11-12H2,1-2H3/b8-7+
InChIKey GMSAHCNQPRQKSU-BQYQJAHWSA-N
Molecular Weight 337.312 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)C\C=C\CP(=O)(OCC)OCC)=O