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2-Butenoic acid, 1,3-bis(diphenylphosphinyl)-1-butenyl ester, (E,?)-
SpectraBase Compound ID 8rhAYefIci6
InChI InChI=1S/C32H30O4P2/c1-3-16-31(33)36-32(38(35,29-21-12-6-13-22-29)30-23-14-7-15-24-30)25-26(2)37(34,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-26H,1-2H3/b16-3+,32-25+
InChIKey QCVAJQOYEOCGEM-IESYEHIFSA-N
Mol Weight 540.5 g/mol
Molecular Formula C32H30O4P2
Exact Mass 540.161933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U6p6aYlzAI
Name 2-Butenoic acid, 1,3-bis(diphenylphosphinyl)-1-butenyl ester, (E,?)-
Alternate Name(s) (1E)-1,3-bis(diphenylphosphoryl)-1-butenyl (2E)-2-butenoate [1,3-bis(diphenylphosphoryl)-1-butenyl]-2-butenoate
CAS Registry Number 87951-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30O4P2
InChI InChI=1S/C32H30O4P2/c1-3-16-31(33)36-32(38(35,29-21-12-6-13-22-29)30-23-14-7-15-24-30)25-26(2)37(34,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-26H,1-2H3/b16-3+,32-25+
InChIKey QCVAJQOYEOCGEM-IESYEHIFSA-N
Molecular Weight 540.536 g/mol
SMILES C(\C=C\(P(=O)(c1ccccc1)c1ccccc1)OC(\C=C\C)=O)(P(=O)(c1ccccc1)c1ccccc1)C
SPLASH splash10-0uy3-9030000000-3bb81ef4d4068046d603
Source of Spectrum K-116-3149-0
Wiley ID 1404663