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PGCRJUJUGMCKHV-JRWJXIQMSA-J

View entire compound with spectra: 2 NMR

PGCRJUJUGMCKHV-JRWJXIQMSA-J
SpectraBase Compound ID A2f2jVu9RYT
InChI InChI=1S/2C16H14ClN3O3.Al/c2*1-10(21)15(16(23)18-12-5-3-2-4-6-12)20-19-13-9-11(17)7-8-14(13)22;/h2*2-9,18,22-23H,1H3;/q;;+4/p-4/b2*16-15-,20-19?;
InChIKey PGCRJUJUGMCKHV-JRWJXIQMSA-J
Mol Weight 686.5 g/mol
Molecular Formula C32H24AlCl2N6O6
Exact Mass 685.094976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17eIFzPAItz
Name PGCRJUJUGMCKHV-JRWJXIQMSA-J
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H24AlCl2N6O6
InChI InChI=1S/2C16H14ClN3O3.Al/c2*1-10(21)15(16(23)18-12-5-3-2-4-6-12)20-19-13-9-11(17)7-8-14(13)22;/h2*2-9,18,22-23H,1H3;/q;;+4/p-4/b2*16-15-,20-19?;
InChIKey PGCRJUJUGMCKHV-JRWJXIQMSA-J
Literature Reference Author A.LYCKA,P.RYS,P.SKRABAL
Literature Reference Citation MAGN.RES.CHEM.,36,279(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199804)36:4<279::aid-omr263>3.0.co;2-7
Molecular Weight 686.467 g/mol
Solvent DMSO-D6