![6,9,12,15,18,24,27,30,33,36-Decaoxa-49,52-diazaheptacyclo-[21.13.12.4(38,47).0(5,37).0(19,48).0(41,50).0(44,51)]dopentaconta-1,3,5(37),19,21,23(48),38,40,42,44,46,49,51-tridecaene](/api/spectrum/1vmsM3pVJZB/structure.png?h=300&w=458 "6,9,12,15,18,24,27,30,33,36-Decaoxa-49,52-diazaheptacyclo-[21.13.12.4(38,47).0(5,37).0(19,48).0(41,50).0(44,51)]dopentaconta-1,3,5(37),19,21,23(48),38,40,42,44,46,49,51-tridecaene")
| SpectraBase Compound ID | KymKECPpjI9 |
|---|---|
| InChI | InChI=1S/C40H44N2O10/c1-3-33-37-31-11-9-29-7-8-30-10-12-32(42-40(30)39(29)41-31)38-35(51-27-23-47-19-15-43-13-17-45-21-25-49-33)5-2-6-36(38)52-28-24-48-20-16-44-14-18-46-22-26-50-34(37)4-1/h1-12H,13-28H2 |
| InChIKey | ATJKMQYAXBRNFD-UHFFFAOYSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C40H44N2O10 |
| Exact Mass | 712.299596 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1vmsM3pVJZB |
|---|---|
| Name | 6,9,12,15,18,24,27,30,33,36-Decaoxa-49,52-diazaheptacyclo-[21.13.12.4(38,47).0(5,37).0(19,48).0(41,50).0(44,51)]dopentaconta-1,3,5(37),19,21,23(48),38,40,42,44,46,49,51-tridecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H44N2O10 |
| InChI | InChI=1S/C40H44N2O10/c1-3-33-37-31-11-9-29-7-8-30-10-12-32(42-40(30)39(29)41-31)38-35(51-27-23-47-19-15-43-13-17-45-21-25-49-33)5-2-6-36(38)52-28-24-48-20-16-44-14-18-46-22-26-50-34(37)4-1/h1-12H,13-28H2 |
| InChIKey | ATJKMQYAXBRNFD-UHFFFAOYSA-N |
| Molecular Weight | 712.796 g/mol |
| SMILES | c12c-3c(ccc2)OCCOCCOCCOCCOc2cccc(c2-c2ccc4c(c5c(ccc3n5)cc4)n2)OCCOCCOCCOCCO1 |
| SPLASH | splash10-03di-0000051900-3ec57726785dfd6316c8 |
| Source of Spectrum | K-127-2303-1d |
| Wiley ID | 1792330 |