| SpectraBase Compound ID | 1rIHP6K6tyC |
|---|---|
| InChI | InChI=1S/C56H90O12/c1-3-5-7-9-11-13-15-17-19-21-47-49-43-53-55(67-41-37-63-33-29-59-25-23-57-27-31-61-35-39-65-53)45-51(49)48(22-20-18-16-14-12-10-8-6-4-2)52-46-56-54(44-50(47)52)66-40-36-62-32-28-58-24-26-60-30-34-64-38-42-68-56/h43-46H,3-42H2,1-2H3 |
| InChIKey | LACKPPVQNPJIGH-UHFFFAOYSA-N |
| Mol Weight | 955.3 g/mol |
| Molecular Formula | C56H90O12 |
| Exact Mass | 954.643228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H1FmXScwQKV |
|---|---|
| Name | 9,10-Bis(undecyl)anthraceno-di-18-crown-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H90O12 |
| InChI | InChI=1S/C56H90O12/c1-3-5-7-9-11-13-15-17-19-21-47-49-43-53-55(67-41-37-63-33-29-59-25-23-57-27-31-61-35-39-65-53)45-51(49)48(22-20-18-16-14-12-10-8-6-4-2)52-46-56-54(44-50(47)52)66-40-36-62-32-28-58-24-26-60-30-34-64-38-42-68-56/h43-46H,3-42H2,1-2H3 |
| InChIKey | LACKPPVQNPJIGH-UHFFFAOYSA-N |
| Molecular Weight | 955.324 g/mol |
| SMILES | c12c(c(CCCCCCCCCCC)c3c(c2CCCCCCCCCCC)cc2c(OCCOCCOCCOCCOCCO2)c3)cc2c(c1)OCCOCCOCCOCCOCCO2 |
| SPLASH | splash10-0a4i-0000000019-7c21e3b9da7293eebfb6 |
| Source of Spectrum | F-54-6902-8 |
| Synonyms | 2,25-diundecyl-6,9,12,15,18,21,29,32,35,38,41,44-dodecaoxapentacyclo[24.20.0.0(3,24).0(5,22).0(28,45)]hexatetraconta-1,3(24),4,22,25,27,45-heptaene |
| Wiley ID | 807571 |