![5-[(7'-Methoxyhept-6'-enyl)oxy]-N(1),N(3)-bis(6"-propionamidopyridin-2"-yl)-isophthalamide](/api/spectrum/hVlziuPMPZ/structure.png?h=300&w=458 "5-[(7'-Methoxyhept-6'-enyl)oxy]-N(1),N(3)-bis(6\"-propionamidopyridin-2\"-yl)-isophthalamide")
| SpectraBase Compound ID | KuEk8FsfJJw |
|---|---|
| InChI | InChI=1S/C34H42N6O6/c1-4-13-31(41)37-27-15-11-17-29(35-27)39-33(43)24-21-25(23-26(22-24)46-20-10-8-6-7-9-19-45-3)34(44)40-30-18-12-16-28(36-30)38-32(42)14-5-2/h9,11-12,15-19,21-23H,4-8,10,13-14,20H2,1-3H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b19-9+ |
| InChIKey | QQLRQJLLBSRTTD-DJKKODMXSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C34H42N6O6 |
| Exact Mass | 630.316583 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | hVlziuPMPZ |
|---|---|
| Name | 5-[(7'-Methoxyhept-6'-enyl)oxy]-N(1),N(3)-bis(6"-propionamidopyridin-2"-yl)-isophthalamide |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H42N6O6 |
| InChI | InChI=1S/C34H42N6O6/c1-4-13-31(41)37-27-15-11-17-29(35-27)39-33(43)24-21-25(23-26(22-24)46-20-10-8-6-7-9-19-45-3)34(44)40-30-18-12-16-28(36-30)38-32(42)14-5-2/h9,11-12,15-19,21-23H,4-8,10,13-14,20H2,1-3H3,(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b19-9+ |
| InChIKey | QQLRQJLLBSRTTD-DJKKODMXSA-N |
| Molecular Weight | 630.746 g/mol |
| SMILES | N(C(c1cc(C(Nc2nc(ccc2)NC(=O)CCC)=O)cc(c1)OCCCCC\C=C\OC)=O)c1nc(ccc1)NC(=O)CCC |
| SPLASH | splash10-0a4i-0900003000-03c607d1a7cc06acaf29 |
| Source of Spectrum | QE-15-11910-8 |
| Wiley ID | 1693043 |