| SpectraBase Spectrum ID |
2Pc6iqhPeBA |
| Name |
2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene |
| Alternate Name(s) |
2-({2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-3-yl}methyl)-3-({3-[(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl}methyl)bicyclo[4.2.0]octa-1,3,5-triene |
| CAS Registry Number |
77130-64-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C49H49I |
| InChI |
InChI=1S/C49H49I/c1-2-3-4-5-30-6-7-31-16-21-40(31)45(30)26-36-12-8-32-17-22-41(32)46(36)27-37-13-9-33-18-23-42(33)47(37)28-38-14-10-34-19-24-43(34)48(38)29-39-15-11-35-20-25-44(35)49(39)50/h6-15H,2-5,16-29H2,1H3 |
| InChIKey |
TXRBXMIBDJYDAE-UHFFFAOYSA-N |
| Molecular Weight |
764.835 g/mol |
| SMILES |
c1(c2CCc2ccc1Cc1c2CCc2ccc1Cc1c2CCc2ccc1CCCCC)Cc1c(c2CCc2cc1)Cc1c(c2CCc2cc1)I |
| SPLASH |
splash10-00lu-0090000000-dfc8abde943bad91876d |
| Source of Spectrum |
F-36-2439-0 |
| Wiley ID |
1416613 |
![2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/2Pc6iqhPeBA/structure.png?h=300&w=458 "2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene")
