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PHENYL-3,3,5-TRIPHENYLPENT-4-YNOATE

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PHENYL-3,3,5-TRIPHENYLPENT-4-YNOATE
SpectraBase Compound ID 64CqFFKxFiQ
InChI InChI=1S/C29H22O2/c30-28(31-27-19-11-4-12-20-27)23-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)22-21-24-13-5-1-6-14-24/h1-20H,23H2
InChIKey RKSBAKXLWHIXGP-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C29H22O2
Exact Mass 402.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oyMu9D6C5w
Name PHENYL-3,3,5-TRIPHENYLPENT-4-YNOATE
Compound Number 6KD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22O2
InChI InChI=1S/C29H22O2/c30-28(31-27-19-11-4-12-20-27)23-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)22-21-24-13-5-1-6-14-24/h1-20H,23H2
InChIKey RKSBAKXLWHIXGP-UHFFFAOYSA-N
Literature Reference Author I.MATSUDA,K.I.KOMORI,K.ITOH
Literature Reference Citation J.AM.CHEM.SOC.,124,9072(2002)
Literature Reference DOI 10.1021/ja0264089
Molecular Weight 402.492 g/mol
Sample ID 34083
Solvent CDCl3