| SpectraBase Spectrum ID |
3o0CzXyckWd |
| Name |
13-Bromo-5-tert-butyl-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane |
| Alternate Name(s) |
1-[6-bromo-13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]-2-phenylethanol |
| 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)24-17-22-11-9-20-13-21(15-25(29)14-20)10-12-23(18-24)27(22)26(30)16-19-7-5-4-6-8-19/h4-8,13-15,17-18,26,30H,9-12,16H2,1-3H3 |
| InChIKey |
LFTJUKXKASKHPN-UHFFFAOYSA-N |
| Molecular Weight |
463.459 g/mol |
| SMILES |
OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)cc(c3)Br)Cc1ccccc1 |
| SPLASH |
splash10-0002-0000900000-e8598af6c7b0bf4eac71 |
| Source of Spectrum |
KC-0-1889-3 |
| Wiley ID |
786097 |
![13-Bromo-5-tert-butyl-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane](/api/spectrum/3o0CzXyckWd/structure.png?h=300&w=458 "13-Bromo-5-tert-butyl-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane")
