John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9EjgqhxFVGW SpectraBase Spectrum ID=10q7ie6jOB3

(accessed ).
[(5-ETA-C10H15)(CO)2RE(2-ETA-TOL(13)C(O)(13)C-(13)CTOL)]
SpectraBase Compound ID 9EjgqhxFVGW
InChI InChI=1S/C17H14O.C10H15.2CO.Re/c1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h3-8,10-11H,1-2H3;1-5H3;;;/i9+1,12+1,17+1;;;;
InChIKey MDCPBCRVNNSXMS-FYEWLVCCSA-N
Mol Weight 614.73 g/mol
Molecular Formula C2613C3H29O3Re
Exact Mass 615.1775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10q7ie6jOB3
Name [(5-ETA-C10H15)(CO)2RE(2-ETA-TOL(13)C(O)(13)C-(13)CTOL)]
Compound Number 37
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2613C3H29O3Re
InChI InChI=1S/C17H14O.C10H15.2CO.Re/c1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h3-8,10-11H,1-2H3;1-5H3;;;/i9+1,12+1,17+1;;;;
InChIKey MDCPBCRVNNSXMS-FYEWLVCCSA-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 614.732 g/mol
Sample ID 48410
Solvent CD2Cl2
SpectraBase Batch ID FR8uqVPKCHi