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(E)-3-keto-5-(o-tolyl)-2-triphenylphosphoranylidene-pent-4-enoic acid methyl ester

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(E)-3-keto-5-(o-tolyl)-2-triphenylphosphoranylidene-pent-4-enoic acid methyl ester
SpectraBase Compound ID 3cpCTCsFws0
InChI InChI=1S/C31H27O3P/c1-24-14-12-13-15-25(24)22-23-29(32)30(31(33)34-2)35(26-16-6-3-7-17-26,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h3-23H,1-2H3/b23-22+
InChIKey OIOSJUYTTBUWEN-GHVJWSGMSA-N
Mol Weight 478.53 g/mol
Molecular Formula C31H27O3P
Exact Mass 478.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSSy4VVstog
Name (E)-3-Keto-5-(o-tolyl)-2-triphenylphosphoranylidene-pent-4-enoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.169781724 u
Formula C31H27O3P
InChI InChI=1S/C31H27O3P/c1-24-14-12-13-15-25(24)22-23-29(32)30(31(33)34-2)35(26-16-6-3-7-17-26,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h3-23H,1-2H3/b23-22+
InChIKey OIOSJUYTTBUWEN-GHVJWSGMSA-N
Molecular Weight 478.528 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(=O)OC)C(\C=C\C=1C(C)=CC=CC1)=O