![Nonacyclo[44.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31).2(34,37).2(40,43)]tetra hexaconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,38,40,42,46,48,49,51,53,55,57,59,61,63-octacosaene-8,20,32,44-tetrayne, (E,Z,E,Z)-](/api/spectrum/6wmhWTh19Lw/structure.png?h=300&w=458 "Nonacyclo[44.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31).2(34,37).2(40,43)]tetra hexaconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,38,40,42,46,48,49,51,53,55,57,59,61,63-octacosaene-8,20,32,44-tetrayne, (E,Z,E,Z)-")
| SpectraBase Compound ID | L7zfAIqZZtO |
|---|---|
| InChI | InChI=1S/C64H40/c1-2-50-4-3-49(1)33-34-51-5-7-53(8-6-51)37-38-55-13-15-57(16-14-55)41-42-59-21-23-61(24-22-59)45-46-63-29-31-64(32-30-63)48-47-62-27-25-60(26-28-62)44-43-58-19-17-56(18-20-58)40-39-54-11-9-52(10-12-54)36-35-50/h1-34,39-42,47-48H/b34-33-,40-39-,42-41-,48-47- |
| InChIKey | VWHDFQRLRDZOKX-JMRIBIENSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C64H40 |
| Exact Mass | 808.313001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6wmhWTh19Lw |
|---|---|
| Name | Nonacyclo[44.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31).2(34,37).2(40,43)]tetra hexaconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,38,40,42,46,48,49,51,53,55,57,59,61,63-octacosaene-8,20,32,44-tetrayne, (E,Z,E,Z)- |
| CAS Registry Number | 84926-88-5 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C64H40 |
| InChI | InChI=1S/C64H40/c1-2-50-4-3-49(1)33-34-51-5-7-53(8-6-51)37-38-55-13-15-57(16-14-55)41-42-59-21-23-61(24-22-59)45-46-63-29-31-64(32-30-63)48-47-62-27-25-60(26-28-62)44-43-58-19-17-56(18-20-58)40-39-54-11-9-52(10-12-54)36-35-50/h1-34,39-42,47-48H/b34-33-,40-39-,42-41-,48-47- |
| InChIKey | VWHDFQRLRDZOKX-JMRIBIENSA-N |
| Molecular Weight | 809.024 g/mol |
| SMILES | C1#Cc2ccc(\C=C/c3ccc(C#Cc4ccc(\C=C/c5ccc(cc5)C#Cc5ccc(\C=C/c6ccc(C#Cc7ccc(\C=C/c8ccc1cc8)cc7)cc6)cc5)cc4)cc3)cc2 |
| SPLASH | splash10-0a4i-0000100090-ca0f600b84c4a5b8de48 |
| Source of Spectrum | SB-36-659-0 |
| Synonyms | Nonacyclo[44.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31).2(34,37).2(40,43)]tetra hexaconta-2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,38,40,42,46,48,49,51,53,55,57,59,61,63-octacosaene-8,20,32,44-tetrayne, (all-Z)- all-cis-[2(8)]paracyclophanetetraenetetrayne nonacyclo[44.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31).2(34,37).2(40,43)]tetrahexaconta-1(48),2,4,6,10,12,14,16,18,22,24,26,28,30,34,36,38,40,42,46,49,51,53,55,57,59,61,63-octacosaen-8,20,32,44-tetrayne [2(8)]paracyclophanetetraenetetrayne |
| Wiley ID | 1417278 |