![heptacyclo[26.8.2.2(10,19).0(3,34).0(8,13).0(16,21).0(26,31)]tetraconta-1(36),2,8,10,12,16,18,20,26,28,30,34-dodecaen-4,6,22,24-tetrayne](/api/spectrum/hXHLtMKS8/structure.png?h=300&w=458 "heptacyclo[26.8.2.2(10,19).0(3,34).0(8,13).0(16,21).0(26,31)]tetraconta-1(36),2,8,10,12,16,18,20,26,28,30,34-dodecaen-4,6,22,24-tetrayne")
| SpectraBase Compound ID | HsTcgQ81c4I |
|---|---|
| InChI | InChI=1S/C40H28/c1-2-6-38-26-30-11-12-32-16-20-36(24-23-34(38)18-14-30)40(28-32)8-4-3-7-39-27-31-10-9-29-13-17-33(37(5-1)25-29)21-22-35(39)19-15-31/h13-20,25-28H,9-12,21-24H2 |
| InChIKey | RKMOLOBCUVGRFB-UHFFFAOYSA-N |
| Mol Weight | 508.7 g/mol |
| Molecular Formula | C40H28 |
| Exact Mass | 508.219101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | hXHLtMKS8 |
|---|---|
| Name | heptacyclo[26.8.2.2(10,19).0(3,34).0(8,13).0(16,21).0(26,31)]tetraconta-1(36),2,8,10,12,16,18,20,26,28,30,34-dodecaen-4,6,22,24-tetrayne |
| Appearance | Yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H28 |
| InChI | InChI=1S/C40H28/c1-2-6-38-26-30-11-12-32-16-20-36(24-23-34(38)18-14-30)40(28-32)8-4-3-7-39-27-31-10-9-29-13-17-33(37(5-1)25-29)21-22-35(39)19-15-31/h13-20,25-28H,9-12,21-24H2 |
| InChIKey | RKMOLOBCUVGRFB-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT 90 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.10.209 |
| Molecular Weight | 508.664 g/mol |
| Reported Formula | C40H28 |
| SMILES | c12ccc3c(c2)C#CC#Cc2c4ccc(c2)CCc2ccc(c(c2)C#CC#Cc2cc(ccc2CC3)CC1)CC4 |
| SPLASH | splash10-0q29-0667090000-af9ed8c30f88670e6b20 |
| Source of Spectrum | BJO-10-SM3-3-1 |
| Wiley ID | 1853981 |