| SpectraBase Spectrum ID |
2bNUeK6S24 |
| Name |
(Z)-13-Bromo-8,8''-(Ethene-1,2-diyl)bis(2-tert-butyl-4,5,9,10-tetrahydropyrene) |
| Alternate Name(s) |
(Z)-13-Bromo-8,8''-(ethene-1,2-diyl)bis(2-tert-butyl-4,5,9,10-tetrahydropyrene) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H47Br |
| InChI |
InChI=1S/C42H47Br/c1-41(2,3)36-24-32-14-10-28-8-7-9-29(20-28)11-15-33(25-36)39(32)18-19-40-34-16-12-30-21-31(23-38(43)22-30)13-17-35(40)27-37(26-34)42(4,5)6/h7-9,18-27H,10-17H2,1-6H3/b19-18- |
| InChIKey |
CVEWZRJXEQLXLQ-HNENSFHCSA-N |
| Molecular Weight |
631.742 g/mol |
| SMILES |
c1(\C=C/c2c3cc(cc2CCc2cc(CC3)cc(c2)Br)C(C)(C)C)c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C |
| SPLASH |
splash10-001i-0000009000-10fbc508cf80cebdd22f |
| Source of Spectrum |
J-61-5108-11 |
| Wiley ID |
1412128 |
