John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IvYlAlhTVT SpectraBase Spectrum ID=1im5KQGjAkM

(accessed ).
[(5-ETA-C10H15)(CO)2RE(2-ETA-TOL(13)CHC=CCPH)]-[BF4]
SpectraBase Compound ID IvYlAlhTVT
InChI InChI=1S/C16H13.C10H15.2CO.BF4.Re/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-6-7(2)9(4)10(5)8(6)3;2*1-2;2-1(3,4)5;/h2-4,6-7,9-13H,1H3;1-5H3;;;;/q;;;;-1;+1/i9+1;;;;;
InChIKey DLXLDRGFYDNCFC-FGDLWSPESA-N
Mol Weight 670.5 g/mol
Molecular Formula C2713CH28BF4O2Re
Exact Mass 671.170968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1im5KQGjAkM
Name [(5-ETA-C10H15)(CO)2RE(2-ETA-TOL(13)CHC=CCPH)]-[BF4]
Compound Number 19
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2713CH28BF4O2Re
InChI InChI=1S/C16H13.C10H15.2CO.BF4.Re/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-6-7(2)9(4)10(5)8(6)3;2*1-2;2-1(3,4)5;/h2-4,6-7,9-13H,1H3;1-5H3;;;;/q;;;;-1;+1/i9+1;;;;;
InChIKey DLXLDRGFYDNCFC-FGDLWSPESA-N
Literature Reference Author C.P.CASEY,T.M.BOLLER,S.KRAFT,I.A.GUZEI
Literature Reference Citation J.AM.CHEM.SOC.,124,13215(2002)
Literature Reference DOI 10.1021/ja020439m
Molecular Weight 670.532 g/mol
Sample ID 48415
Solvent CD2Cl2
SpectraBase Batch ID F5qol6CdPZa