| SpectraBase Spectrum ID |
3eSYHwel0nt |
| Name |
12-Bromo-4-hydroxy-5[1-(1-phenyl-ethylimino)-ethyl]-[2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.119777460 u |
| Formula |
C26H26BrNO |
| InChI |
InChI=1S/C26H26BrNO/c1-17(20-6-4-3-5-7-20)28-18(2)25-22-13-12-21-10-8-19(16-24(21)27)9-11-23(15-14-22)26(25)29/h3-8,10,14-17,29H,9,11-13H2,1-2H3/b28-18+/t17-/m0/s1 |
| InChIKey |
UHXSUTVUAUXXRM-DVRSNGFLSA-N |
| Molecular Weight |
448.404 g/mol |
| SMILES |
C1(\C(=N\[C@](C2=CC=CC=C2)(C)[H])C)=C(C=2CCC=3C=C(C(CCC1=CC2)=CC3)Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876514 |
![12-Bromo-4-hydroxy-5[1-(1-phenyl-ethylimino)-ethyl]-[2.2]paracyclophane](/api/spectrum/3eSYHwel0nt/structure.png?h=300&w=458 "12-Bromo-4-hydroxy-5[1-(1-phenyl-ethylimino)-ethyl]-[2.2]paracyclophane")
