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5-(Ethoxycarbonylmethylene)-6-[(triphenylphosphoranyl)(ethoxycarbonyl)methyl]-3-(triphenylmethyl)-6-oxycyclohexa-1,3-diene

View entire compound with spectra: 1 MS (GC)

5-(Ethoxycarbonylmethylene)-6-[(triphenylphosphoranyl)(ethoxycarbonyl)methyl]-3-(triphenylmethyl)-6-oxycyclohexa-1,3-diene
SpectraBase Compound ID 3GveiEtHIJ4
InChI InChI=1S/C51H45O5P/c1-3-55-47(52)38-43-37-42(51(39-23-11-5-12-24-39,40-25-13-6-14-26-40)41-27-15-7-16-28-41)35-36-50(43,54)48(49(53)56-4-2)57(44-29-17-8-18-30-44,45-31-19-9-20-32-45)46-33-21-10-22-34-46/h5-38,48H,3-4H2,1-2H3/b43-38+
InChIKey XJVGJYLENHSNBA-ACBUMRBESA-N
Mol Weight 768.9 g/mol
Molecular Formula C51H45O5P
Exact Mass 768.300462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aJ32cZaTrG
Name 5-(Ethoxycarbonylmethylene)-6-[(triphenylphosphoranyl)(ethoxycarbonyl)methyl]-3-(triphenylmethyl)-6-oxycyclohexa-1,3-diene
Alternate Name(s) (6E)-6-(2-ethoxy-2-oxoethylidene)-1-[2-ethoxy-2-oxo-1-(triphenylphosphonio)ethyl]-4-trityl-2,4-cyclohexadien-1-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H45O5P
InChI InChI=1S/C51H45O5P/c1-3-55-47(52)38-43-37-42(51(39-23-11-5-12-24-39,40-25-13-6-14-26-40)41-27-15-7-16-28-41)35-36-50(43,54)48(49(53)56-4-2)57(44-29-17-8-18-30-44,45-31-19-9-20-32-45)46-33-21-10-22-34-46/h5-38,48H,3-4H2,1-2H3/b43-38+
InChIKey XJVGJYLENHSNBA-ACBUMRBESA-N
Molecular Weight 768.890 g/mol
SMILES C(C1(\C(C=C(C=C1)C(c1ccccc1)(c1ccccc1)c1ccccc1)=C\C(=O)OCC)[O-])([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-03e9-0795300000-67b8eaee402b0c7cc49e
Source of Spectrum F-49-8699-7
Wiley ID 788263