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ESMERALDIC-ACID-DIMETHYLESTER

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ESMERALDIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 5SjFRu95iDQ
InChI InChI=1S/C32H28N4O5/c1-15-17-8-5-12-22-30(17)36(23-13-7-10-19(27(23)34-22)31(38)40-3)24-14-20(32(39)41-4)28-29(25(15)24)35-26-18(16(2)37)9-6-11-21(26)33-28/h5-16,33-35,37H,1-4H3
InChIKey CQYJTCCBGTZRMR-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H28N4O5
Exact Mass 548.20597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9awLZVWV5Ud
Name ESMERALDIC-ACID-DIMETHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H28N4O5
InChI InChI=1S/C32H28N4O5/c1-15-17-8-5-12-22-30(17)36(23-13-7-10-19(27(23)34-22)31(38)40-3)24-14-20(32(39)41-4)28-29(25(15)24)35-26-18(16(2)37)9-6-11-21(26)33-28/h5-16,33-35,37H,1-4H3
InChIKey CQYJTCCBGTZRMR-UHFFFAOYSA-N
Literature Reference Author C.W.VANTLAND,U.MOCEK,H.G.FLOSS
Literature Reference Citation J.ORG.CHEM.,58,6576(1993)
Literature Reference DOI 10.1021/jo00076a014
Molecular Weight 548.598 g/mol
Solvent CDCl3
Source File Reference UWGE2316