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XAYHUHVQUMMTCK-MYJASXKISA-M

View entire compound with spectra: 1 NMR

XAYHUHVQUMMTCK-MYJASXKISA-M
SpectraBase Compound ID IJaR9lsGVcr
InChI InChI=1S/C29H25N4O2.HI/c1-31-19(16-32(30-31)15-18-9-3-2-4-10-18)17-33-28(34)26-24-20-11-5-6-12-21(20)25(27(26)29(33)35)23-14-8-7-13-22(23)24;/h2-14,16,24-27H,15,17H2,1H3;1H/q+1;/p-1/t24-,25+,26-,27+;
InChIKey XAYHUHVQUMMTCK-MYJASXKISA-M
Mol Weight 588.45 g/mol
Molecular Formula C29H25IN4O2
Exact Mass 588.102221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvkOz9Myysm
Name XAYHUHVQUMMTCK-MYJASXKISA-M
Compound Number B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H25IN4O2
InChI InChI=1S/C29H25N4O2.HI/c1-31-19(16-32(30-31)15-18-9-3-2-4-10-18)17-33-28(34)26-24-20-11-5-6-12-21(20)25(27(26)29(33)35)23-14-8-7-13-22(23)24;/h2-14,16,24-27H,15,17H2,1H3;1H/q+1;/p-1/t24-,25+,26-,27+;
InChIKey XAYHUHVQUMMTCK-MYJASXKISA-M
Literature Reference Author I.BRATKO,G.GUISADO-BARRIOS,I.FAVIER,S.MALLET-LADEIRA,E.TEUMA ,E.PERIS,M.GOMEZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2160(2014)
Literature Reference DOI 10.1002/ejoc.201301220
Molecular Weight 588.448 g/mol
Solvent CD3CN
Source File Reference UWIR20037