![2,16-Dioxononacyclo[50.4.0.0(3,8)0(10,15),0(17,22).0(24,29).0(38,43).0(45,50)]hexapentaconta-1(52),3(8),4,6,10(15),11,13,17(22),18,22,24)29).25,27,312(36),32,34,38(43),39,41,45(50),46,48,53,55-tetracosaene](/api/spectrum/AoLWePt7TP2/structure.png?h=300&w=458 "2,16-Dioxononacyclo[50.4.0.0(3,8)0(10,15),0(17,22).0(24,29).0(38,43).0(45,50)]hexapentaconta-1(52),3(8),4,6,10(15),11,13,17(22),18,22,24)29).25,27,312(36),32,34,38(43),39,41,45(50),46,48,53,55-tetracosaene")
| SpectraBase Compound ID | HVW1ilmRicG |
|---|---|
| InChI | InChI=1S/C56H44O2/c57-55-51-29-13-9-25-47(51)36-45-23-7-5-21-43(45)34-41-19-3-1-17-39(41)33-40-18-2-4-20-42(40)35-44-22-6-8-24-46(44)37-48-26-10-14-30-52(48)56(58)54-32-16-12-28-50(54)38-49-27-11-15-31-53(49)55/h1-32H,33-38H2 |
| InChIKey | NLZAZYXMUVOOIE-UHFFFAOYSA-N |
| Mol Weight | 749.0 g/mol |
| Molecular Formula | C56H44O2 |
| Exact Mass | 748.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AoLWePt7TP2 |
|---|---|
| Name | 2,16-Dioxononacyclo[50.4.0.0(3,8)0(10,15),0(17,22).0(24,29).0(38,43).0(45,50)]hexapentaconta-1(52),3(8),4,6,10(15),11,13,17(22),18,22,24)29).25,27,312(36),32,34,38(43),39,41,45(50),46,48,53,55-tetracosaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H44O2 |
| InChI | InChI=1S/C56H44O2/c57-55-51-29-13-9-25-47(51)36-45-23-7-5-21-43(45)34-41-19-3-1-17-39(41)33-40-18-2-4-20-42(40)35-44-22-6-8-24-46(44)37-48-26-10-14-30-52(48)56(58)54-32-16-12-28-50(54)38-49-27-11-15-31-53(49)55/h1-32H,33-38H2 |
| InChIKey | NLZAZYXMUVOOIE-UHFFFAOYSA-N |
| Molecular Weight | 748.966 g/mol |
| SMILES | C1(c2c(Cc3c(C(c4c(Cc5c(cccc5)Cc5c(Cc6c(Cc7c(Cc8c1cccc8)cccc7)cccc6)cccc5)cccc4)=O)cccc3)cccc2)=O |
| SPLASH | splash10-0002-0031000900-622c3b19c1c11935d99e |
| Source of Spectrum | J-58-7156-36 |
| Synonyms | 25,30,35,40-tetrahydrooctabenzo[a,d,g,j,m,p,s,v]cyclotetracosene-5,15(10H,20H)-dione |
| Wiley ID | 1416300 |