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4,7,12,15-TETRASTYRYL-[2.2]-p-CYCLOPHANE-SODIUM-SALT

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4,7,12,15-TETRASTYRYL-[2.2]-p-CYCLOPHANE-SODIUM-SALT
SpectraBase Compound ID 4KxeUedZMao
InChI InChI=1S/C48H36.4Na/c1-5-13-37(14-6-1)21-25-41-33-46-31-32-48-36-43(27-23-39-17-9-3-10-18-39)47(35-44(48)28-24-40-19-11-4-12-20-40)30-29-45(41)34-42(46)26-22-38-15-7-2-8-16-38;;;;/h1-20,25-28,33-36H,29-32H2;;;;/q-4;4*+1
InChIKey SXJSKVACEBPXFZ-UHFFFAOYSA-N
Mol Weight 704.77507713 g/mol
Molecular Formula C48H36Na4
Exact Mass 704.240778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcwLQmTNENs
Name 4,7,12,15-TETRASTYRYL-[2.2]-p-CYCLOPHANE-SODIUM-SALT
Compound Number 1(4-)/4NA+
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C48H36.4Na/c1-5-13-37(14-6-1)21-25-41-33-46-31-32-48-36-43(27-23-39-17-9-3-10-18-39)47(35-44(48)28-24-40-19-11-4-12-20-40)30-29-45(41)34-42(46)26-22-38-15-7-2-8-16-38;;;;/h1-20,25-28,33-36H,29-32H2;;;;/q-4;4*+1
InChIKey SXJSKVACEBPXFZ-UHFFFAOYSA-N
Literature Reference J.CHEM.SOC.PERKIN-2,2589(1996) E.SHABTAI,M.RABINOVITZ,B.KOENIG,B.KNIERIEM,A.DEMEIJERE
Solvent Tetrahydrofuran-d8
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION