| SpectraBase Spectrum ID |
7PV42YwzTrx |
| Name |
Pentacyclo[24.2.2.2(4,7).2(10,13).2(18,21)]hexatriaconta-2,4,6,8,10,12,14,1 6,18,20,22,24,26,28,29,31,33,35-octadecaene, (E,E,Z,Z,Z,Z)- |
| Alternate Name(s) |
pentacyclo[24.2.2.2(4,7).2(10,13).2(18,21)]hexatriaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26,29,31,33,35-octadecaene
[2(2)]para[4(2)]paracyclophane |
| CAS Registry Number |
77972-49-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H28 |
| InChI |
InChI=1S/C36H28/c1-3-7-31-13-17-33(18-14-31)21-23-35-25-27-36(28-26-35)24-22-34-19-15-32(16-20-34)8-4-2-6-30-11-9-29(5-1)10-12-30/h1-28H/b3-1-,4-2+,5-1+,6-2+,7-3+,8-4-,23-21-,24-22-,29-5-,30-6+,31-7-,32-8-,33-21+,34-22-,35-23-,36-24- |
| InChIKey |
MYEAOEMVRNDTOM-LHRDZKSOSA-N |
| Molecular Weight |
460.620 g/mol |
| SMILES |
c12\C=C/c3ccc(\C=C\C=C\c4ccc(\C=C\C=C/c5ccc(\C=C/c(cc2)cc1)cc5)cc4)cc3 |
| SPLASH |
splash10-03di-0000900000-f13a3a80ba293f5a2aa3 |
| Source of Spectrum |
KC-1981-667-0 |
| Wiley ID |
1390714 |
![Pentacyclo[24.2.2.2(4,7).2(10,13).2(18,21)]hexatriaconta-2,4,6,8,10,12,14,1 6,18,20,22,24,26,28,29,31,33,35-octadecaene, (E,E,Z,Z,Z,Z)-](/api/spectrum/7PV42YwzTrx/structure.png?h=300&w=458 "Pentacyclo[24.2.2.2(4,7).2(10,13).2(18,21)]hexatriaconta-2,4,6,8,10,12,14,1 6,18,20,22,24,26,28,29,31,33,35-octadecaene, (E,E,Z,Z,Z,Z)-")
