SpectraBase Spectrum ID |
Bgpcy2aWECh |
Name |
2,4,8-Tris(T-butyl)-1,6-dihydrocyclopenta[C]fluoren-3(2H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.276615778 u |
Formula |
C28H36O |
InChI |
InChI=1S/C28H36O/c1-26(2,3)18-10-11-19-16(13-18)12-17-14-21(27(4,5)6)24-20(23(17)19)15-22(25(24)29)28(7,8)9/h10-11,13-14,22H,12,15H2,1-9H3 |
InChIKey |
SQSSAKYOOPACFW-UHFFFAOYSA-N |
Molecular Weight |
388.595 g/mol |
SMILES |
C1=2C(C(C(C)(C)C)CC2C=2C3=C(C=C(C=C3)C(C)(C)C)CC2C=C1C(C)(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923408 |