| SpectraBase Spectrum ID |
8z7DHFrqd21 |
| Name |
2,2'-bi(4-Benzyl-3-phenyl-2-cyclobuten-1-one) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.193280075 u |
| Formula |
C34H26O2 |
| InChI |
InChI=1S/C34H26O2/c35-33-27(21-23-13-5-1-6-14-23)29(25-17-9-3-10-18-25)31(33)32-30(26-19-11-4-12-20-26)28(34(32)36)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2 |
| InChIKey |
IVWOLKMANNQVGR-UHFFFAOYSA-N |
| Molecular Weight |
466.580 g/mol |
| SMILES |
C1(C2=C(C=3C=CC=CC3)C(C2=O)CC=2C=CC=CC2)=C(C=2C=CC=CC2)C(C1=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926432 |
