| SpectraBase Spectrum ID |
ABbw0c7pur |
| Name |
(E)-5-tert-Butyl-8-[(2-tert-butyl-4,5,9,10-tetrahydro-1-pyrenyl)ethenyl][2.2]metacyclophane |
| Alternate Name(s) |
2-tert-butyl-1-{1-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-2-yl]vinyl}-4,5,9,10-tetrahydropyrene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H46 |
| InChI |
InChI=1S/C42H46/c1-41(2,3)37-25-32-15-13-27-9-7-10-28(23-27)14-16-33(37)24-31(32)20-21-35-36-22-19-30-12-8-11-29-17-18-34(40(36)39(29)30)26-38(35)42(4,5)6/h7-12,20-21,23-26H,13-19,22H2,1-6H3/b21-20+ |
| InChIKey |
JNFHBXXRUJELHN-QZQOTICOSA-N |
| Molecular Weight |
550.830 g/mol |
| SMILES |
c-12c3c(\C=C\c4c5cc(c(c4)CCc4cccc(c4)CC5)C(C)(C)C)c(cc2CCc2c1c(CC3)ccc2)C(C)(C)C |
| SPLASH |
splash10-14i0-9000090000-ad8a3d5bbffaad9a3416 |
| Source of Spectrum |
J-61-5107-9 |
| Wiley ID |
1405817 |
![(E)-5-tert-Butyl-8-[(2-tert-butyl-4,5,9,10-tetrahydro-1-pyrenyl)ethenyl][2.2]metacyclophane](/api/spectrum/ABbw0c7pur/structure.png?h=300&w=458 "(E)-5-tert-Butyl-8-[(2-tert-butyl-4,5,9,10-tetrahydro-1-pyrenyl)ethenyl][2.2]metacyclophane")
