| SpectraBase Spectrum ID |
LIrXIBKBa11 |
| Name |
2,5-bis(p-Isopropylbenzylidene)cyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.214015521 u |
| Formula |
C25H28O |
| InChI |
InChI=1S/C25H28O/c1-17(2)21-9-5-19(6-10-21)15-23-13-14-24(25(23)26)16-20-7-11-22(12-8-20)18(3)4/h5-12,15-18H,13-14H2,1-4H3 |
| InChIKey |
BLRYANQKLDMIRG-UHFFFAOYSA-N |
| Molecular Weight |
344.498 g/mol |
| SMILES |
C=1C(=CC=C(C1)C(C)C)C=C1C(C(CC1)=CC=1C=CC(=CC1)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.966133 |
