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2-Propenoic acid, 2-methyl-, 1,3-bis(diphenylphosphinyl)-2-methyl-1-propenyl ester
SpectraBase Compound ID JRB3COHwNnS
InChI InChI=1S/C32H30O4P2/c1-25(2)31(33)36-32(38(35,29-20-12-6-13-21-29)30-22-14-7-15-23-30)26(3)24-37(34,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23H,1,24H2,2-3H3/b32-26-
InChIKey UAWRSVMBZLYVBH-FSRJSHLRSA-N
Mol Weight 540.5 g/mol
Molecular Formula C32H30O4P2
Exact Mass 540.161933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoDRZij83XH
Name 2-Propenoic acid, 2-methyl-, 1,3-bis(diphenylphosphinyl)-2-methyl-1-propenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 540.161933438 u
Formula C32H30O4P2
InChI InChI=1S/C32H30O4P2/c1-25(2)31(33)36-32(38(35,29-20-12-6-13-21-29)30-22-14-7-15-23-30)26(3)24-37(34,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23H,1,24H2,2-3H3/b32-26-
InChIKey UAWRSVMBZLYVBH-FSRJSHLRSA-N
Molecular Weight 540.536 g/mol
SMILES C(\C(=C/(P(=O)(C=1C=CC=CC1)C=1C=CC=CC1)OC(C(=C)C)=O)C)P(=O)(C1=CC=CC=C1)C=1C=CC=CC1