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MO-(NAD)-(CHCME2PH)-[OCH(CF3)(2)](2)-(2-(3-PENTYL)-NC5H4)

View entire compound with spectra: 1 NMR

MO-(NAD)-(CHCME2PH)-[OCH(CF3)(2)](2)-(2-(3-PENTYL)-NC5H4)
SpectraBase Compound ID 9XxnvvlpEHE
InChI InChI=1S/2C10H15N.C10H12.2C3HF6O.Mo/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-3-9(4-2)10-7-5-6-8-11-10;1-10(2,3)9-7-5-4-6-8-9;2*4-2(5,6)1(10)3(7,8)9;/h7-9H,1-6H2;5-9H,3-4H2,1-2H3;1,4-8H,2-3H3;2*1H;/q;;;2*-1;+2/t7-,8+,9-,10-;;;;;
InChIKey KWIBHBGIMVCWJF-KIMDPPFQSA-N
Mol Weight 860.7 g/mol
Molecular Formula C36H44F12MoN2O2
Exact Mass 862.226521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 864ts3Eq2dQ
Name MO-(NAD)-(CHCME2PH)-[OCH(CF3)(2)](2)-(2-(3-PENTYL)-NC5H4)
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44F12MoN2O2
InChI InChI=1S/2C10H15N.C10H12.2C3HF6O.Mo/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-3-9(4-2)10-7-5-6-8-11-10;1-10(2,3)9-7-5-4-6-8-9;2*4-2(5,6)1(10)3(7,8)9;/h7-9H,1-6H2;5-9H,3-4H2,1-2H3;1,4-8H,2-3H3;2*1H;/q;;;2*-1;+2/t7-,8+,9-,10-;;;;;
InChIKey KWIBHBGIMVCWJF-KIMDPPFQSA-N
Literature Reference Author R.R.SCHROCK,S.LUO,J.C.LEE,N.C.ZANETTI,W.M.DAVIS
Literature Reference Citation J.AM.CHEM.SOC.,118,3883(1996)
Literature Reference DOI 10.1021/ja954155w
Molecular Weight 860.678 g/mol
Sample ID 37666
Solvent CD2Cl2