| SpectraBase Spectrum ID |
KuacDYJ4a4D |
| Name |
4-{3'-[(T-butyl)bicyclo[1.1.1]pent-1'-yl]biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.187800773 u |
| Formula |
C21H24 |
| InChI |
InChI=1S/C21H24/c1-19(2,3)21-13-20(14-21,15-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3 |
| InChIKey |
MYPQWSOMMUQJJU-UHFFFAOYSA-N |
| Molecular Weight |
276.423 g/mol |
| SMILES |
C12(CC(C2)(C2=CC=C(C=C2)C2=CC=CC=C2)C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944043 |
![4-{3'-[(T-butyl)bicyclo[1.1.1]pent-1'-yl]biphenyl](/api/spectrum/KuacDYJ4a4D/structure.png?h=300&w=458 "4-{3'-[(T-butyl)bicyclo[1.1.1]pent-1'-yl]biphenyl")
