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1,3-Dioxane-4,6-dione, 5-[2,3-bis(diphenylmethylene)-4-(triphenylphosphoranylidene)cyclobutylidene]-2,2-dimethyl-
SpectraBase Compound ID 8EQTLKi7lTS
InChI InChI=1S/C54H41O4P/c1-54(2)57-52(55)50(53(56)58-54)49-47(45(38-24-10-3-11-25-38)39-26-12-4-13-27-39)48(46(40-28-14-5-15-29-40)41-30-16-6-17-31-41)51(49)59(42-32-18-7-19-33-42,43-34-20-8-21-35-43)44-36-22-9-23-37-44/h3-37H,1-2H3
InChIKey CGFJZSDDNUUKSP-UHFFFAOYSA-N
Mol Weight 784.9 g/mol
Molecular Formula C54H41O4P
Exact Mass 784.274247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JENDCwgCuXQ
Name 1,3-Dioxane-4,6-dione, 5-[2,3-bis(diphenylmethylene)-4-(triphenylphosphoranylidene)cyclobutylidene]-2,2-dimethyl-
CAS Registry Number 122652-12-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H41O4P
InChI InChI=1S/C54H41O4P/c1-54(2)57-52(55)50(53(56)58-54)49-47(45(38-24-10-3-11-25-38)39-26-12-4-13-27-39)48(46(40-28-14-5-15-29-40)41-30-16-6-17-31-41)51(49)59(42-32-18-7-19-33-42,43-34-20-8-21-35-43)44-36-22-9-23-37-44/h3-37H,1-2H3
InChIKey CGFJZSDDNUUKSP-UHFFFAOYSA-N
Molecular Weight 784.892 g/mol
SMILES C1(=C2C(OC(OC2=O)(C)C)=O)C(=C(c2ccccc2)c2ccccc2)C(C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
SPLASH splash10-08gi-1980000100-0a66fa2f0960168262af
Source of Spectrum B-42-456-7
Synonyms 5-[2,3-bis(diphenylmethylene)-4-(triphenylphosphoranylidene)cyclobutylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione [2',3'-bis(diphenylmethylene)-4'-(triphenylphosphoranylidene)cyclobutylidene]-2,2-dimethyl-1,3-dioxan-4,6-dione
Wiley ID 1416947