| SpectraBase Spectrum ID |
8VjocGKZyg3 |
| Name |
Diethyl (pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylmethyl)propanedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.183109313 u |
| Formula |
C28H26O4 |
| InChI |
InChI=1S/C28H26O4/c1-3-31-26(29)21(27(30)32-4-2)17-28-22-14-8-5-11-18(22)25(19-12-6-9-15-23(19)28)20-13-7-10-16-24(20)28/h5-16,21,25H,3-4,17H2,1-2H3 |
| InChIKey |
WMUBRMFDJDMFRC-UHFFFAOYSA-N |
| Molecular Weight |
426.512 g/mol |
| SMILES |
C1=2C3(C4=C(C=CC=C4)C(C2C=CC=C1)C1=C3C=CC=C1)CC(C(=O)OCC)C(=O)OCC |
![Diethyl (pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylmethyl)propanedioate](/api/spectrum/8VjocGKZyg3/structure.png?h=300&w=458 "Diethyl (pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylmethyl)propanedioate")
