SpectraBase Spectrum ID |
5Xq7a1J0lok |
Name |
(4B.alpha.,9A.alpha.,10.beta.)-9.alpha.-Benzyl-10-phenyl-4B,9,9A,10-tetrahydroindeno[1,2-A] inden-9-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.167065327 u |
Formula |
C29H22O |
InChI |
InChI=1S/C29H22O/c30-28-25-18-10-9-17-24(25)27-23-16-8-7-15-22(23)26(21-13-5-2-6-14-21)29(27,28)19-20-11-3-1-4-12-20/h1-18,26-27H,19H2/t26-,27-,29-/m0/s1 |
InChIKey |
JWCIUCXGASZYIU-YCVJPRETSA-N |
Molecular Weight |
386.494 g/mol |
SMILES |
[C@@]12([C@@](C=3C=CC=CC3[C@@]2(C2=CC=CC=C2)[H])(C=2C=CC=CC2C1=O)[H])CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922602 |