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(E)-5-methyl-1-phenyl-4-triphenylphosphoranylidene-1-hexen-3-one

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(E)-5-methyl-1-phenyl-4-triphenylphosphoranylidene-1-hexen-3-one
SpectraBase Compound ID 8oP2aLvpBMe
InChI InChI=1S/C31H29OP/c1-25(2)31(30(32)24-23-26-15-7-3-8-16-26)33(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25H,1-2H3/b24-23+
InChIKey MEXVXPKEUFNOFI-WCWDXBQESA-N
Mol Weight 448.55 g/mol
Molecular Formula C31H29OP
Exact Mass 448.195603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Alf9cnonGjd
Name (E)-5-Methyl-1-phenyl-4-triphenylphosphoranylidene-1-hexen-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.195602551 u
Formula C31H29OP
InChI InChI=1S/C31H29OP/c1-25(2)31(30(32)24-23-26-15-7-3-8-16-26)33(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25H,1-2H3/b24-23+
InChIKey MEXVXPKEUFNOFI-WCWDXBQESA-N
Molecular Weight 448.546 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(C(\C=C\C1=CC=CC=C1)=O)C(C)C