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2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl (diphenylphosphoryl)acetate

View entire compound with spectra: 2 NMR

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl (diphenylphosphoryl)acetate
SpectraBase Compound ID HZg31rc5IIP
InChI InChI=1S/C24H21O6P/c25-21(18-11-12-22-23(15-18)29-14-13-28-22)16-30-24(26)17-31(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2
InChIKey LEFDGVSFNGOKLN-UHFFFAOYSA-N
Mol Weight 436.4 g/mol
Molecular Formula C24H21O6P
Exact Mass 436.107575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxdK2KBH3IJ
Name 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl (diphenylphosphoryl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.107575388 u
Formula C24H21O6P
InChI InChI=1S/C24H21O6P/c25-21(18-11-12-22-23(15-18)29-14-13-28-22)16-30-24(26)17-31(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2
InChIKey LEFDGVSFNGOKLN-UHFFFAOYSA-N
Molecular Weight 436.400 g/mol
SMILES C=1C=CC(P(CC(OCC(C2=CC=3OCCOC3C=C2)=O)=O)(=O)C=2C=CC=CC2)=CC1