| SpectraBase Spectrum ID |
HxRgLMS9muD |
| Name |
2-Tert-butyl-3-(2-T-butylethynyl)phenanthrene-1,4-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.177630011 u |
| Formula |
C24H24O2 |
| InChI |
InChI=1S/C24H24O2/c1-23(2,3)14-13-18-20(24(4,5)6)22(26)17-12-11-15-9-7-8-10-16(15)19(17)21(18)25/h7-12H,1-6H3 |
| InChIKey |
GIBPGLUZELCRCE-UHFFFAOYSA-N |
| Molecular Weight |
344.454 g/mol |
| SMILES |
C=1(C(C=2C3=C(C=CC=C3)C=CC2C(C1C(C)(C)C)=O)=O)C#CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867332 |
