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(E)-4-(2-methylphenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one

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

(E)-4-(2-methylphenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one
SpectraBase Compound ID 1extojBpDZd
InChI InChI=1S/C35H29OP/c1-28-16-14-15-17-29(28)26-27-34(36)35(30-18-6-2-7-19-30)37(31-20-8-3-9-21-31,32-22-10-4-11-23-32)33-24-12-5-13-25-33/h2-27H,1H3/b27-26+
InChIKey XTOKPNLDIFRUCV-CYYJNZCTSA-N
Mol Weight 496.6 g/mol
Molecular Formula C35H29OP
Exact Mass 496.195603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ9ougiSXO
Name (E)-4-(2-Methylphenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.195602551 u
Formula C35H29OP
InChI InChI=1S/C35H29OP/c1-28-16-14-15-17-29(28)26-27-34(36)35(30-18-6-2-7-19-30)37(31-20-8-3-9-21-31,32-22-10-4-11-23-32)33-24-12-5-13-25-33/h2-27H,1H3/b27-26+
InChIKey XTOKPNLDIFRUCV-CYYJNZCTSA-N
Molecular Weight 496.590 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(\C=C\C1=C(C)C=CC=C1)=O)C=1C=CC=CC1