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{5-[3,6-Dimethyl-2,4(1H,3H)-dioxo-1-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

{5-[3,6-Dimethyl-2,4(1H,3H)-dioxo-1-
SpectraBase Compound ID G1tx2x1xQYq
InChI InChI=1S/C29H32N2O2P/c1-24-23-28(32)30(2)29(33)31(24)21-13-6-14-22-34(25-15-7-3-8-16-25,26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,23H,6,13-14,21-22H2,1-2H3/q+1
InChIKey HTULIJABGKYTNV-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C29H32N2O2P
Exact Mass 471.22014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wP64jMprvp
Name {5-[3,6-Dimethyl-2,4(1H,3H)-dioxo-1-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.220140274 u
Formula C29H32N2O2P
InChI InChI=1S/C29H32N2O2P/c1-24-23-28(32)30(2)29(33)31(24)21-13-6-14-22-34(25-15-7-3-8-16-25,26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,23H,6,13-14,21-22H2,1-2H3/q+1
InChIKey HTULIJABGKYTNV-UHFFFAOYSA-N
Molecular Weight 471.561 g/mol
SMILES C1(=CC(N(C(N1CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O)C)=O)C