| SpectraBase Spectrum ID |
3EvhNAchf4S |
| Name |
5-tert-Butyl-8-[1-hydroxy-2-(4-bromophenyl)ethyl][2.2]metacyclophane |
| Alternate Name(s) |
2-(4-bromophenyl)-1-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]ethanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H31BrO |
| InChI |
InChI=1S/C28H31BrO/c1-28(2,3)24-17-22-11-7-19-5-4-6-20(15-19)8-12-23(18-24)27(22)26(30)16-21-9-13-25(29)14-10-21/h4-6,9-10,13-15,17-18,26,30H,7-8,11-12,16H2,1-3H3 |
| InChIKey |
RXPSOPGBQABEBE-UHFFFAOYSA-N |
| Molecular Weight |
463.459 g/mol |
| SMILES |
OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)ccc3)Cc1ccc(cc1)Br |
| SPLASH |
splash10-0a4i-0090100000-11036ef56f91d4697507 |
| Source of Spectrum |
KC-0-1889-3 |
| Wiley ID |
786098 |
![5-tert-Butyl-8-[1-hydroxy-2-(4-bromophenyl)ethyl][2.2]metacyclophane](/api/spectrum/3EvhNAchf4S/structure.png?h=300&w=458 "5-tert-Butyl-8-[1-hydroxy-2-(4-bromophenyl)ethyl][2.2]metacyclophane")
