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5-(C6F5)-PCP

View entire compound with spectra: 3 NMR

5-(C6F5)-PCP
SpectraBase Compound ID KC5XUuTYS8Z
InChI InChI=1S/C28H39F5O2P2/c1-25(2,3)36(26(4,5)6)34-17-13-16(19-20(29)22(31)24(33)23(32)21(19)30)14-18(15-17)35-37(27(7,8)9)28(10,11)12/h13-15H,1-12H3
InChIKey ITXDCQIHNMQTCF-UHFFFAOYSA-N
Mol Weight 564.6 g/mol
Molecular Formula C28H39F5O2P2
Exact Mass 564.234545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiiOucxvnLM
Name 5-(C6F5)-PCP
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39F5O2P2
InChI InChI=1S/C28H39F5O2P2/c1-25(2,3)36(26(4,5)6)34-17-13-16(19-20(29)22(31)24(33)23(32)21(19)30)14-18(15-17)35-37(27(7,8)9)28(10,11)12/h13-15H,1-12H3
InChIKey ITXDCQIHNMQTCF-UHFFFAOYSA-N
Literature Reference Author I.GOETTKER-SCHNETMANN,P.WHITE,M.BROOKHART
Literature Reference Citation J.AM.CHEM.SOC.,126,1804(2004)
Literature Reference DOI 10.1021/ja0385235
Molecular Weight 564.556 g/mol
Solvent TOLUENE-D8
Source File Reference UWMZ21886