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(E)-5-keto-4-triphenylphosphoranylidene-hex-2-enoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-5-keto-4-triphenylphosphoranylidene-hex-2-enoic acid methyl ester
SpectraBase Compound ID 3iCIQkWxwZC
InChI InChI=1S/C25H23O3P/c1-20(26)24(18-19-25(27)28-2)29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19H,1-2H3/b19-18+
InChIKey OUTHIRPEIXMNDV-VHEBQXMUSA-N
Mol Weight 402.43 g/mol
Molecular Formula C25H23O3P
Exact Mass 402.138482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YCMW4QvsHR
Name (E)-5-Keto-4-triphenylphosphoranylidene-hex-2-enoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.138481596 u
Formula C25H23O3P
InChI InChI=1S/C25H23O3P/c1-20(26)24(18-19-25(27)28-2)29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19H,1-2H3/b19-18+
InChIKey OUTHIRPEIXMNDV-VHEBQXMUSA-N
Molecular Weight 402.430 g/mol
SMILES C(\C=C\C(C(C)=O)=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(=O)OC