| SpectraBase Compound ID | VvC78NXB6O |
|---|---|
| InChI | InChI=1S/C28H36N6O4/c1-3-23-19-31-7-11-35-15-17-37-13-9-32(10-14-38-18-16-36-12-8-31)20-24-4-2-6-26-22-34(30-28(24)26)33-21-25(5-1)27(23)29-33/h1-6,21-22H,7-20H2 |
| InChIKey | NVXJMSOGVYBAES-UHFFFAOYSA-N |
| Mol Weight | 520.6 g/mol |
| Molecular Formula | C28H36N6O4 |
| Exact Mass | 520.279804 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AhY0CFctY0W |
|---|---|
| Name | 2,2'-biindazole-7,7'-diylbismethylene-1,10-diaza-18-crown-6 |
| CAS Registry Number | 113303-03-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36N6O4 |
| InChI | InChI=1S/C28H36N6O4/c1-3-23-19-31-7-11-35-15-17-37-13-9-32(10-14-38-18-16-36-12-8-31)20-24-4-2-6-26-22-34(30-28(24)26)33-21-25(5-1)27(23)29-33/h1-6,21-22H,7-20H2 |
| InChIKey | NVXJMSOGVYBAES-UHFFFAOYSA-N |
| Molecular Weight | 520.634 g/mol |
| SMILES | c12n[n]3-[n]4nc5c(CN6CCOCCOCCN(Cc2cccc1c3)CCOCCOCC6)cccc5c4 |
| SPLASH | splash10-001i-0950100000-d95b3b88cb4514052043 |
| Source of Spectrum | J-53-2065-61 |
| Synonyms | 23,26,31,34-tetraoxa-1,9,10,11,12,20-hexaazahexacyclo[18.8.8.1(7,10).1(11,14).0(3,8).0(13,18)]octatriaconta-3,5,7(38),8,12,14(37),15,17-octaene |
| Wiley ID | 1401952 |