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IJKROVFVCDVCAU-UHFFFAOYSA-O

View entire compound with spectra: 2 NMR

IJKROVFVCDVCAU-UHFFFAOYSA-O
SpectraBase Compound ID 1HZDc8dfsCV
InChI InChI=1S/C37H32F3NO3P2S.C10H15.2C3H9P.CH3.ClH.Re/c38-37(39,40)47(42,43)44-41(45(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)46(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-6-7(2)9(4)10(5)8(6)3;2*1-4(2)3;;;/h1-30,45-46H;1-5H3;2*1-3H3;1H3;1H;/q;;;;;;-1/p+1
InChIKey IJKROVFVCDVCAU-UHFFFAOYSA-O
Mol Weight 1215.8 g/mol
Molecular Formula C54H70ClF3NO3P4ReS
Exact Mass 1215.322503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIzvT6snKrE
Name IJKROVFVCDVCAU-UHFFFAOYSA-O
Compound Number 7-PPNOTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H66ClF3NO3P4ReS
InChI InChI=1S/C37H32F3NO3P2S.C10H15.2C3H9P.CH3.ClH.Re/c38-37(39,40)47(42,43)44-41(45(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)46(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-6-7(2)9(4)10(5)8(6)3;2*1-4(2)3;;;/h1-30,45-46H;1-5H3;2*1-3H3;1H3;1H;/q;;;;;;-1/p+1
InChIKey IJKROVFVCDVCAU-UHFFFAOYSA-O
Literature Reference Author J.R.KRUMPER,R.L.MARTIN,P.J.HAY,C.M.YUNG,J.VELTHEER,R.G.BERGM AN
Literature Reference Citation J.AM.CHEM.SOC.,126,14804(2004)
Literature Reference DOI 10.1021/ja0468877
Molecular Weight 1211.733 g/mol
Solvent CD2Cl2
Source File Reference UWLU34904