![5-(4-Iodobutoxy)-N,N'-bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-1,3-benzenedicarboxamide](/api/spectrum/Fc2VPHOZ7fu/structure.png?h=300&w=458 "5-(4-Iodobutoxy)-N,N'-bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-1,3-benzenedicarboxamide")
| SpectraBase Compound ID | FPdcxLLubSP |
|---|---|
| InChI | InChI=1S/C38H51IN6O5/c1-5-9-15-26(7-3)35(46)42-31-17-13-19-33(40-31)44-37(48)28-23-29(25-30(24-28)50-22-12-11-21-39)38(49)45-34-20-14-18-32(41-34)43-36(47)27(8-4)16-10-6-2/h13-14,17-20,23-27H,5-12,15-16,21-22H2,1-4H3,(H2,40,42,44,46,48)(H2,41,43,45,47,49) |
| InChIKey | WRQXJHNGAUZLTC-UHFFFAOYSA-N |
| Mol Weight | 798.8 g/mol |
| Molecular Formula | C38H51IN6O5 |
| Exact Mass | 798.296564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fc2VPHOZ7fu |
|---|---|
| Name | 5-(4-Iodobutoxy)-N,N'-bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-1,3-benzenedicarboxamide |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 798.296563761 u |
| Formula | C38H51IN6O5 |
| InChI | InChI=1S/C38H51IN6O5/c1-5-9-15-26(7-3)35(46)42-31-17-13-19-33(40-31)44-37(48)28-23-29(25-30(24-28)50-22-12-11-21-39)38(49)45-34-20-14-18-32(41-34)43-36(47)27(8-4)16-10-6-2/h13-14,17-20,23-27H,5-12,15-16,21-22H2,1-4H3,(H2,40,42,44,46,48)(H2,41,43,45,47,49) |
| InChIKey | WRQXJHNGAUZLTC-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.201800101 |
| Molecular Weight | 798.767 g/mol |
| Quality | 16 |
| SMILES | N(C(C=1C=C(C=C(C(=O)NC2=NC(=CC=C2)NC(C(CCCC)CC)=O)C1)OCCCCI)=O)C1=NC(=CC=C1)NC(C(CCCC)CC)=O |
| SPLASH | splash10-00b9-0900042000-4b5284c6091381298541 |
| Source of Spectrum | K1-2018-2599-8 (DOI: 10.1002/ejoc.201800101) |
| Thin-Layer Chromatography | 0.18 (cyclohexane/ethyl acetate, 5:1) |
| Wiley ID | 1894038 |