| SpectraBase Spectrum ID |
FEoUyJJkMbq |
| Name |
1-T-Butyl-4-(adamantyl-1)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.219100902 u |
| Formula |
C20H28 |
| InChI |
InChI=1S/C20H28/c1-19(2,3)17-4-6-18(7-5-17)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16H,8-13H2,1-3H3/t14-,15+,16-,20- |
| InChIKey |
TVPWOUUQXSEPTI-BMWJPVITSA-N |
| Molecular Weight |
268.444 g/mol |
| SMILES |
C1=CC(=CC=C1C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921759 |
