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ADBRQHWXUHUCKS-KSNGJFOMSA-N
SpectraBase Compound ID C6OcdXYT7ow
InChI InChI=1S/C28H22N4O2.C7H8O3S/c33-27-25-23-19-10-4-5-11-20(19)24(22-13-7-6-12-21(22)23)26(25)28(34)32(27)16-18-15-31(30-29-18)14-17-8-2-1-3-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-13,15,23-26H,14,16H2;2-5H,1H3,(H,8,9,10)/t23-,24+,25-,26+;
InChIKey ADBRQHWXUHUCKS-KSNGJFOMSA-N
Mol Weight 618.71 g/mol
Molecular Formula C35H30N4O5S
Exact Mass 618.193691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ybYD9iYDk3
Name ADBRQHWXUHUCKS-KSNGJFOMSA-N
Compound Number C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H30N4O5S
InChI InChI=1S/C28H22N4O2.C7H8O3S/c33-27-25-23-19-10-4-5-11-20(19)24(22-13-7-6-12-21(22)23)26(25)28(34)32(27)16-18-15-31(30-29-18)14-17-8-2-1-3-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-13,15,23-26H,14,16H2;2-5H,1H3,(H,8,9,10)/t23-,24+,25-,26+;
InChIKey ADBRQHWXUHUCKS-KSNGJFOMSA-N
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 618.707 g/mol
Solvent CDCl3
Source File Reference UWIR20038