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(1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-TRIAZOL-5-YLIDENE)-(P-CY3)(CL)2-RU=CH-CH=CME2;MINOR-ISOMER+MAJOR-ISOMER;MIXTURE
SpectraBase Compound ID 1SjYnmncrkc
InChI InChI=1S/2C20H16N3.2C18H33P.2C5H8.4ClH.2Ru/c2*1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-5(2)3;;;;;;/h2*1-16H;2*16-18H,1-15H2;2*1,4H,2-3H3;4*1H;;/q;;;;;;;;;;2*+1/p-2
InChIKey PXUDUTSAXPPKHC-UHFFFAOYSA-L
Mol Weight 1639.8 g/mol
Molecular Formula C86H116Cl4N6P2Ru2
Exact Mass 1638.557763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM1mpVsck8N
Name (1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-TRIAZOL-5-YLIDENE)-(P-CY3)(CL)2-RU=CH-CH=CME2;MINOR-ISOMER+MAJOR-ISOMER;MIXTURE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H114Cl4N6P2Ru2
InChI InChI=1S/2C20H16N3.2C18H33P.2C5H8.4ClH.2Ru/c2*1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-5(2)3;;;;;;/h2*1-16H;2*16-18H,1-15H2;2*1,4H,2-3H3;4*1H;;/q;;;;;;;;;;2*+1/p-2
InChIKey PXUDUTSAXPPKHC-UHFFFAOYSA-L
Literature Reference Author T.M.TRNKA,J.P.MORGAN,M.S.SANFORD,T.E.WILHELM,M.SCHOLL,T.L.CH OI,S.DING,M.W.DAY,R.
Literature Reference Citation J.AM.CHEM.SOC.,125,2546(2003)
Literature Reference DOI 10.1021/ja021146w
Molecular Weight 1637.791 g/mol
Sample ID 40642
Solvent CD2Cl2