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AEGZDZCQVVJZGV-UHFFFAOYSA-K

View entire compound with spectra: 1 NMR

AEGZDZCQVVJZGV-UHFFFAOYSA-K
SpectraBase Compound ID JF2qWsXaPNT
InChI InChI=1S/C72H63O3S6.3ClH.3Pd/c1-52-70(43-73-61-37-55(46-76-64-22-10-4-11-23-64)34-56(38-61)47-77-65-24-12-5-13-25-65)53(2)72(45-75-63-41-59(50-80-68-30-18-8-19-31-68)36-60(42-63)51-81-69-32-20-9-21-33-69)54(3)71(52)44-74-62-39-57(48-78-66-26-14-6-15-27-66)35-58(40-62)49-79-67-28-16-7-17-29-67;;;;;;/h4-33,37-42H,43-51H2,1-3H3;3*1H;;;/q;;;;3*+1/p-3
InChIKey AEGZDZCQVVJZGV-UHFFFAOYSA-K
Mol Weight 1594.3 g/mol
Molecular Formula C72H63Cl3O3Pd3S6
Exact Mass 1589.927146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GywPule9L3o
Name AEGZDZCQVVJZGV-UHFFFAOYSA-K
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H63Cl3O3Pd3S6
InChI InChI=1S/C72H63O3S6.3ClH.3Pd/c1-52-70(43-73-61-37-55(46-76-64-22-10-4-11-23-64)34-56(38-61)47-77-65-24-12-5-13-25-65)53(2)72(45-75-63-41-59(50-80-68-30-18-8-19-31-68)36-60(42-63)51-81-69-32-20-9-21-33-69)54(3)71(52)44-74-62-39-57(48-78-66-26-14-6-15-27-66)35-58(40-62)49-79-67-28-16-7-17-29-67;;;;;;/h4-33,37-42H,43-51H2,1-3H3;3*1H;;;/q;;;;3*+1/p-3
InChIKey AEGZDZCQVVJZGV-UHFFFAOYSA-K
Literature Reference Author H.J.V.MANEN,R.H.FOKKENS,N.M.M.NIBBERING,F.C.J.M.V.VEGGEL,D.N .REINHOUDT
Literature Reference Citation J.ORG.CHEM.,66,4643(2001)
Literature Reference DOI 10.1021/jo0101757
Molecular Weight 1594.269 g/mol
Solvent CDCl3
Source File Reference UWMS28069