| SpectraBase Spectrum ID |
6LgZmjqRWQ2 |
| Name |
E-9-{1-(2,6-di-N-Propylphenyl)-1-phenylmethylene}-1,2,3,4,4A,9A-hexahydro-1,4-methano-1H-fluorene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.281701159 u |
| Formula |
C33H36 |
| InChI |
InChI=1S/C33H36/c1-3-11-22-15-10-16-23(12-4-2)29(22)31(24-13-6-5-7-14-24)33-28-18-9-8-17-27(28)30-25-19-20-26(21-25)32(30)33/h5-10,13-18,25-26,30,32H,3-4,11-12,19-21H2,1-2H3/b33-31- |
| InChIKey |
INABAWPAUYQUBV-FPODKLOTSA-N |
| Molecular Weight |
432.651 g/mol |
| SMILES |
C12\C(C=3C=CC=CC3C1C1CCC2C1)=C\(C=1C=CC=CC1)C=1C(=CC=CC1CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935474 |
