| SpectraBase Spectrum ID |
2OMrmHFCKen |
| Name |
(Z)-8-(2-Bromo-2-phenylethenyl)-5-tert-Butyl[2.2]metacyclophane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H29Br |
| InChI |
InChI=1S/C28H29Br/c1-28(2,3)25-17-23-14-12-20-8-7-9-21(16-20)13-15-24(18-25)26(23)19-27(29)22-10-5-4-6-11-22/h4-11,16-19H,12-15H2,1-3H3/b27-19- |
| InChIKey |
BDWQHCCJQZGXOY-DIBXZPPDSA-N |
| Molecular Weight |
445.444 g/mol |
| SMILES |
c1(\C=C\(c2ccccc2)Br)c2cc(cc1CCc1cc(CC2)ccc1)C(C)(C)C |
| SPLASH |
splash10-0a4i-9000800000-7457b01cdc7f2bf78e15 |
| Source of Spectrum |
J-61-5107-8 |
| Synonyms |
16-[(Z)-2-bromo-2-phenylethenyl]-6-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene |
| Wiley ID |
1386122 |
![(Z)-8-(2-Bromo-2-phenylethenyl)-5-tert-butyl[2.2]metacyclophane](/api/spectrum/2OMrmHFCKen/structure.png?h=300&w=458 "(Z)-8-(2-Bromo-2-phenylethenyl)-5-tert-butyl[2.2]metacyclophane")
