| SpectraBase Spectrum ID |
FUJ7FX1Behg |
| Name |
4,5,6,8,16-Pentamethyl[2.2]metacyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.203450837 u |
| Formula |
C21H26 |
| InChI |
InChI=1S/C21H26/c1-13-14(2)20-11-9-18-7-6-8-19(16(18)4)10-12-21(15(13)3)17(20)5/h6-8H,9-12H2,1-5H3 |
| InChIKey |
ALPIKOIPIQSYAX-UHFFFAOYSA-N |
| Molecular Weight |
278.439 g/mol |
| SMILES |
C=12C(=C(CCC3=C(C(CC2)=CC=C3)C)C(=C(C1C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822606 |
![4,5,6,8,16-Pentamethyl[2.2]metacyclophane](/api/spectrum/FUJ7FX1Behg/structure.png?h=300&w=458 "4,5,6,8,16-Pentamethyl[2.2]metacyclophane")
